SCHEMBL12844619

SCHEMBL12844619

CCc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ ACACB O00763 3/20 0.46
▸ LTA4H P09960 3/20 0.45
▸ MPO P05164 1/20 0.45
▸ OPRM1 P35372 4/20 0.45
▸ OPRD1 P41143 3/20 0.45
▸ OPRK1 P41145 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL15177164 0.86 ACACB (0.47) GRNSORT1ACACBLTA4HMPO
SCHEMBL19362952 0.84 KDM4E (0.59) ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL17232513 0.83 LTA4H (0.51) LTA4HALDH1A1L3MBTL1MAPK1
SCHEMBL14349927 0.83 P2RX3 (0.48) HTTSMN1; SMN2L3MBTL1
SCHEMBL12967186 0.83 MEN1 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1MMP13
SCHEMBL28023084 0.82 L3MBTL1 (0.49) GRNSORT1ACACBLTA4HOPRM1
SCHEMBL11990076 0.82 CYP1A2 (0.51) LTA4HMPOALDH1A1SMN1; SMN2MAPK1
SCHEMBL510046 0.82 LTA4H (0.58) GRNSORT1ACACBLTA4HMPO
SCHEMBL18291628 0.82 LTA4H (0.45) GRNSORT1ACACBLTA4HMPO
SCHEMBL510446 0.82 LTA4H (0.45) GRNSORT1ACACBLTA4HMPO

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 — — US disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 — — EP disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 — — US disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 — — WO disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 — — US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 — — US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
EP-2272343-A2 Seed treatment Bayer CropScience AG (DE) 2011-01-12 — — EP disclosed
EP-2272344-A2 Seed treatment Bayer CropScience AG (DE) 2011-01-12 — — EP disclosed
US-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 — — US disclosed
US-7803821-B2 N-cyclopropyl-N-[(3,4-dimethoxypyridin-2-yl)methyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide; control of phytopathogenic fungi of plants BAYER CROPSCIENCE SA (FR) 2010-09-28 — — US disclosed
WO-2009158571-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS AND USES THEREOF (US) 2009-12-30 — — WO disclosed
US-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-29 — — US disclosed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 — — US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 — — US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 — — US disclosed
US-20080280953-A1 Agents Used for the Treatment of Seeds BAYER CROPSCIENCE AG (DE) 2008-11-13 — — US disclosed
US-20080280953-A1 Agents Used for the Treatment of Seeds BAYER CROPSCIENCE AG (DE) 2008-11-13 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 — — 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 (9 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R GRN 1582/4885SORT1 4830/4885ACACB 2010/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GRN 3322/4885SORT1 4852/4885ACACB 2805/4885
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH GRN 1521/4885SORT1 2380/4885ACACB 3142/4885
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R GRN 3641/4885SORT1 3177/4885ACACB 4882/4885
US-20080280953-A1 Agents Used for the Treatment of Seeds TUBB3, TUBB, GUSB GRN 1718/4885SORT1 122/4885ACACB 127/4885
US-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives NRDC, CBR3, NR2C2 GRN 2343/4885SORT1 3302/4885ACACB 858/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK GRN 2997/4885SORT1 2977/4885ACACB 781/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 GRN 3643/4885SORT1 4130/4885ACACB 2/4885
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT HTR2C, HTR5A, HTR2A GRN 2169/4885SORT1 653/4885ACACB 1584/4885

“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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