SCHEMBL3914643

SCHEMBL3914643

Cc1ccc(C(N)=O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 3/20 0.54
CNR2 P34972 4/20 0.44
CNR1 P21554 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2A6 P11509 1/20 0.42
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL29864596 1.00 ATM (0.60) ATMKMT2ACYP1A2CNR2CNR1
SCHEMBL11607263 0.88 CYP1A2 (0.54) ATMKMT2ACYP1A2KDM4EALDH1A1
SCHEMBL28639283 0.87 ATM (0.75) ATMKMT2ACNR1KDM4EALDH1A1
SCHEMBL7717844 0.83 CYP1A2 (0.59) CYP1A2CNR2CNR1MAPTCYP2A6
SCHEMBL18698057 0.81 KMT2A (0.62) ATMKMT2ACNR1KDM4EALDH1A1
SCHEMBL7829452 0.81 CYP1A2 (0.56) ATMKMT2ACYP1A2CNR2CNR1
SCHEMBL405225 0.81 CYP1A2 (0.56) KMT2ACYP1A2CNR2CNR1KDM4E
SCHEMBL669648 0.81 CYP1A2 (0.56) CYP1A2CNR2CNR1KDM4EALDH1A1
SCHEMBL31347531 0.81 CYP1A2 (0.56) KMT2ACYP1A2CNR2CNR1KDM4E
SCHEMBL6914442 0.79 CYP1A2 (0.54) CYP1A2CNR2CNR1KDM4EALDH1A1

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 25 patents — showing the first 20. 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
US-9938248-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-04-10 US disclosed
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-03-01 US disclosed
US-9834523-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-05 US disclosed
US-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-24 US disclosed
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2017-07-13 US disclosed
US-9656981-B2 Peripherally-acting cannabinoid receptor agonists for chronic pain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-23 US disclosed
US-9611231-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-04-04 US disclosed
US-7803826-B2 Imidazolidine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-28 US 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
US-20070249697-A1 Novel Imidazolidine Derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-25 US disclosed
US-20070249697-A1 Novel Imidazolidine Derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-25 US disclosed
EP-1775289-A1 NOVEL IMIDAZOLIDINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-04-18 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
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 disclosed
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 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-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 ATM 2932/4885KMT2A 2428/4885CYP1A2 402/4885
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 ATM 4131/4885KMT2A 2697/4885CYP1A2 1343/4885
US-20170197925-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 ATM 2932/4885KMT2A 2428/4885CYP1A2 402/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 ATM 2932/4885KMT2A 2428/4885CYP1A2 402/4885
US-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN CNR2, CNR1, OPRL1 ATM 4745/4885KMT2A 4034/4885CYP1A2 2104/4885
US-20070249697-A1 Novel Imidazolidine Derivatives CYP3A4, CYP4B1, OPRD1 ATM 4137/4885KMT2A 3170/4885CYP1A2 30/4885

“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.