SCHEMBL9663065

SCHEMBL9663065

CCCCCC(C)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BDKRB2 P30411 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL19223903 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2207969 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
SCHEMBL28143791 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
SCHEMBL27485167 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
SCHEMBL21416476 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
SCHEMBL24919973 0.98 MAPT (0.44) MAPTALDH1A1POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL572560 0.96 ALDH1A1 (0.42) MAPTALDH1A1POLBCYP3A4CYP2D6
Fluoride SCHEMBL29252743 0.96 MAPT (0.42) MAPTALDH1A1POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29252918 0.96 ALDH1A1 (0.42) MAPTALDH1A1POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27371328 0.96 ALDH1A1 (0.42) MAPTALDH1A1POLBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 — — US disclosed
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 — — US disclosed
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2022-05-24 — — US disclosed
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2021-08-05 — — US disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 — — US disclosed
CN-110471134-A Surface treatment liquid and optical film SUMITOMO CHEMICAL CO 2019-11-19 — — CN disclosed
CN-110325887-A Optical laminate 住友化学株式会社 2019-10-11 — — CN disclosed
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-23 — — US disclosed
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 — — US disclosed
US-9988386-B2 Compounds for treatment of diseases of abnormal angiogenesis or aberrant growth factors and uses thereof Kata Pharmaceuticals, Inc. (US) 2018-06-05 — — US disclosed
CN-106468795-B Curved surface image display panel polarization plates 住友化学株式会社 2018-01-30 — — CN disclosed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 — — US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 — — US disclosed
CN-106569296-A Polarizing plate 住友化学株式会社 2017-04-19 — — CN disclosed
CN-106569297-A Polarizing plate 住友化学株式会社 2017-04-19 — — CN disclosed
CN-106468795-A Curved surface image display panel polarization plates 住友化学株式会社 2017-03-01 — — CN disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 — — US disclosed
EP-0470391-A1 Use of pyridines as perfume or aroma ingredients FIRMENICH SA (CH) 1992-02-12 — — EP 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPT 2020/4885ALDH1A1 1972/4885POLB 4644/4885
US-20210238165-A1 HETEROARYL RHEB INHIBITORS AND USES THEREOF RHEB, KRAS, NRAS MAPT 4119/4885ALDH1A1 3621/4885POLB 286/4885
US-10266560-B2 Bile acid analogs as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 MAPT 2547/4885ALDH1A1 2623/4885POLB 4613/4885
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES SI, UGGT1, ALPI MAPT 260/4885ALDH1A1 592/4885POLB 929/4885
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 MAPT 4769/4885ALDH1A1 458/4885POLB 2793/4885
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 MAPT 3727/4885ALDH1A1 1717/4885POLB 3697/4885
US-11339144-B2 Heteroaryl Rheb inhibitors and uses thereof RHEB, GDI2, KRAS MAPT 2840/4885ALDH1A1 3277/4885POLB 178/4885

“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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