SCHEMBL3914647

SCHEMBL3914647

Cc1ccc(CN)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.59
CYP2A6 P11509 4/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
DAO P14920 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PNMT P11086 1/20 0.38
TSHR P16473 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2A P28223 1/20 0.35

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
SCHEMBL20631342 0.89 CYP2A6 (0.50) CYP1A2CYP2A6LOXL2TAAR1ALDH1A1
SCHEMBL15345377 0.86 CYP1A2 (0.59) CYP1A2CYP2A6LOXL2TAAR1ALDH1A1
SCHEMBL29463712 0.85 LOXL2 (0.56) CYP1A2CYP2A6LOXL2TAAR1ALDH1A1
SCHEMBL5052533 0.85 LOXL2 (0.56) CYP1A2CYP2A6LOXL2TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL5691546 0.83 LOXL2 (0.54) CYP2A6LOXL2TAAR1ALDH1A1PNMT
SCHEMBL11815158 0.83 TAAR1 (0.57) CYP1A2CYP2A6DAOTAAR1CYP3A4
SCHEMBL8816153 0.81 CYP1A2 (0.65) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL14394642 0.79 CYP1A2 (0.50) CYP1A2CYP2A6DAOTAAR1ALDH1A1
SCHEMBL7754391 0.79 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1TSHR
SCHEMBL9519292 0.79 CYP1A2 (0.62) CYP1A2CYP2A6DAOALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US claimed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP claimed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO claimed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 US disclosed
EP-2657214-B1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-02-15 EP disclosed
US-8993774-B2 Process for production of aromatic alcohol or heterocyclic aromatic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-03-31 US disclosed
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-14 US disclosed
EP-2657214-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-10-30 EP disclosed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 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 (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-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 CYP1A2 1343/4885CYP2A6 907/4885LOXL2 233/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 CYP1A2 402/4885CYP2A6 280/4885LOXL2 4808/4885
US-20130303775-A1 PROCESS FOR PRODUCTION OF AROMATIC ALCOHOL OR HETEROCYCLIC AROMATIC ALCOHOL ADH1C, ADH1A, ADH5 CYP1A2 98/4885CYP2A6 278/4885LOXL2 3456/4885

“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.