SCHEMBL263884

SCHEMBL263884

NCc1cccc2cnccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
LMNA P02545 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.53
MAPKAPK2 P49137 1/20 0.53
HTT P42858 1/20 0.49
DAO P14920 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRKD3 O94806 1/20 0.48
TP53 P04637 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
PRKCA P17252 1/20 0.48
PRKACA P17612 1/20 0.48
NFKB1 P19838 1/20 0.48
PRKACG P22612 1/20 0.48

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
SCHEMBL30098481 1.00 CYP3A4 (0.58) CYP3A4CYP2D6LMNACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4783267 0.98 LMNA (0.56) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL11270913 0.85 CYP3A4 (0.55) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL4785840 0.85 TNF (0.49) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL31742311 0.85 TNF (0.49) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL2627867 0.81 LMNA (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL843758 0.81 LMNA (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL6597218 0.81 CYP3A4 (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL31177930 0.81 KDM4E (0.58) CYP3A4CYP2D6LMNACYP1A2CYP2C9
SCHEMBL3816382 0.81 CYP3A4 (0.53) CYP3A4CYP2D6LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427394-A Heterocyclic compounds for modulating NR2F6 TES制药有限责任公司 2022-12-02 CN disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 US disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 EP disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2016201052-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-12-15 WO disclosed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US disclosed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-6534510-B2 Anticoagulants MERCK & CO., INC. 2003-03-18 US disclosed
EP-1267876-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
US-20020006923-A1 Thrombin inhibitors MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 WO disclosed
EP-1074545-A1 ISOQUINOLINESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Hidaka, Hiroyoshi (JP) 2001-02-07 EP disclosed
US-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 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 (6 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 CYP3A4 4302/4885CYP2D6 4276/4885LMNA 1261/4885
US-20020006923-A1 Thrombin inhibitors F2, F11, F12 CYP3A4 1332/4885CYP2D6 1128/4885LMNA 1877/4885
US-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP3A4 4393/4885CYP2D6 2976/4885LMNA 4183/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP CYP3A4 4851/4885CYP2D6 4825/4885LMNA 1527/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CYP3A4 4393/4885CYP2D6 2976/4885LMNA 4183/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 CYP3A4 1466/4885CYP2D6 1020/4885LMNA 4576/4885

“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.