SCHEMBL1828244

SCHEMBL1828244

Bc1ccc(N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.69
▸ TSHR P16473 6/20 0.69
▸ ALOX15 P16050 3/20 0.69
▸ HSD17B10 Q99714 3/20 0.69
▸ MAPK1 P28482 5/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHKA P35790 1/20 0.46
▸ APP P05067 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL27467715 0.97 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL13990660 0.85 RELA (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL12260784 0.85 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL7076748 0.83 ALDH1A1 (0.85) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL65261 0.83 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL19071895 0.81 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL28260395 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379125 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL2443748 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1
Hydrochloric Acid SCHEMBL379126 0.79 ALDH1A1 (0.92) ALDH1A1TSHRALOX15HSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023071855-A1 HYDRAZONE-BASED ZN (II) COORDINATION COMPLEX PHOTOCHROMIC MATERIAL, PREPARATION AND USE THEREOF 南京邮电大学 2023-05-04 — — WO disclosed
WO-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate TOKYO OHKA KOGYO CO, LTD. (JP) 2019-12-10 — — US disclosed
US-10227267-B2 Bonding agents for nitrogen-containing oxidizers RAYTHEON COMPANY (US) 2019-03-12 — — US disclosed
WO-2019031990-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2019-02-14 — — WO disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 — — US disclosed
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE TOKYO OHKA KOGYO CO., LTD. (JP) 2018-06-28 — — US disclosed
WO-2018102067-A2 TAU-PROTEIN TARGETING PROTACS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-06-07 — — WO disclosed
EP-2718293-B1 SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2017-10-25 — — EP disclosed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 — — WO disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 — — WO disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 — — US disclosed
US-8030520-B2 Process for preparing organic compounds by a transition metal-catalysed cross-coupling reaction of an aryl-X, heteroaryl-X, cycloalkenyl-X or alkenyl-X compound with an alkyl, alkenyl, cycloalkyl or cycloalkenyl halide SALTIGO GMBH (DE) 2011-10-04 — — US disclosed
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE ADAMS JULIAN 2011-09-22 — — US disclosed
EP-2315588-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS Rottapharm S.p.A. (IT) 2011-05-04 — — EP disclosed
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-03-11 — — US disclosed
US-20100036131-A1 N-HETEROCYCLIC CARBENE-AMIDO PALLADIUM(II) CATALYSTS AND METHOD OF USE THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-02-11 — — US disclosed
WO-2009152868-A1 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW MAO INHIBITORS AND IMIDAZOLINE RECEPTOR LIGANDS ROTTAPHARM S.P.A. (IT) 2009-12-23 — — WO disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 — — US disclosed
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE SALTIGO GMBH (DE) 2009-10-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100060155-A1 Organic Semiconductor Material and Light-Emitting Element, Light-Emitting Device, Lighting System, and Electronic Device Using the Same OXA1L, BECN1, MAP1LC3A ALDH1A1 832/4885TSHR 2888/4885ALOX15 3050/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885TSHR 3443/4885ALOX15 3739/4885
US-20180182624-A1 IMPURITY DIFFUSION AGENT COMPOSITION AND METHOD FOR MANUFACTURING SEMICONDUCTOR SUBSTRATE SLC43A1, SAMHD1, SNRPD2 ALDH1A1 2704/4885TSHR 4456/4885ALOX15 4044/4885
US-20090247764-A1 PROCESS FOR PREPARING ORGANIC COMPOUNDS BY A TRANSITION METAL-CATALYSED CROSS-COUPLING REACTION OF AN ARYL-X, HETEROARYL-X, CYCLOALKENYL-X OR ALKENYL-X COMPOUND WITH AN ALKYL, ALKENYL, CYCLOALKYL OR CYCLOALKENYL HALIDE MLX, PYM1, CBR3 ALDH1A1 4399/4885TSHR 191/4885ALOX15 3430/4885
US-20100036131-A1 N-HETEROCYCLIC CARBENE-AMIDO PALLADIUM(II) CATALYSTS AND METHOD OF USE THEREOF NUDC, PAM, NIT2 ALDH1A1 3880/4885TSHR 1647/4885ALOX15 1000/4885
US-20110230440-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 ALDH1A1 444/4885TSHR 2421/4885ALOX15 29/4885
US-10504732-B2 Impurity diffusion agent composition and method for manufacturing semiconductor substrate SLC43A1, SAMHD1, SNRPD2 ALDH1A1 2704/4885TSHR 4456/4885ALOX15 4044/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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