SCHEMBL445877

SCHEMBL445877

Cc1cc2c[c]ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
KEAP1 Q14145 1/20 0.48
AXL P30530 1/20 0.46
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
GAA P10253 3/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL1746068 0.85 KEAP1 (0.42) CYP2A6KEAP1AXLMAPTALDH1A1
SCHEMBL1465757 0.78 SYK (0.32)
SCHEMBL7372883 0.76 BRD4 (0.59) MAPTALDH1A1KDM4E
SCHEMBL4460967 0.74 F11 (0.31)
SCHEMBL4467591 0.74
SCHEMBL4717754 0.74 AOC3 (0.54) CYP2A6KEAP1
SCHEMBL2452605 0.74 DAO (0.31)
SCHEMBL3659921 0.74 PTGS2 (0.46) CYP2A6KEAP1AXLMAPTALDH1A1
SCHEMBL189125 0.74 LOXL2 (0.37) MAPTALDH1A1KDM4ERXFP1
SCHEMBL4473896 0.74 AXL (0.34) AXLMAPTALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN claimed
CN-107074822-B Triazole compounds as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN claimed
US-10246426-B2 Triazole compounds as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2019-04-02 US claimed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US claimed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP claimed
EP-3194374-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS Idorsia Pharmaceuticals Ltd (CH) 2017-07-26 EP claimed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP claimed
WO-2016041892-A1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-24 WO claimed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US claimed
EP-2892892-A1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SNTHASE (FASN) INHIBITORS FOR!THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2015-07-15 EP claimed
WO-2001007462-A1 11β-ARYL-17,17-SPIROTHIOLANE-SUBSTITUTED STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 2001-02-01 WO claimed
EP-1060186-A1 20-KETO-11BETA-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 2000-12-20 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO claimed
WO-2000037436-A1 SULFONAMIDE HYDROXAMATES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-29 WO claimed
WO-1999062929-A1 17β-NITRO-11β-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 1999-12-09 WO claimed
WO-1999045022-A1 20-KETO-11β-ARYLSTEROIDS AND THEIR DERIVATIVES HAVING AGONIST OR ANTAGONIST HORMONAL PROPERTIES RESEARCH TRIANGLE INSTITUTE (US) 1999-09-10 WO claimed
EP-0828724-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1998-03-18 EP claimed
EP-0799218-A1 DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-08 EP claimed
WO-1996036623-A1 DIARYL-5-OXYGENATED-2-(5H)-FURANONES AS COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1996-11-21 WO claimed

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

For each of this compound's patents that has machine-readable text (3 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-10246426-B2 Triazole compounds as T-type calcium channel blockers CACNA1I, CACNA1E, CACNA1G CYP2A6 2660/4885KEAP1 3131/4885AXL 3137/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 CYP2A6 1519/4885KEAP1 1443/4885AXL 1843/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 CYP2A6 1519/4885KEAP1 1443/4885AXL 1843/4885

“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.