SCHEMBL7097869

SCHEMBL7097869

NC(=O)c1ccc2cnccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
ERN1 O75460 1/20 0.46
MAPKAPK2 P49137 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CACNA1B Q00975 2/20 0.42
IMPDH2 P12268 3/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1759098 0.84 LDHA (0.58) TDP1KDM4EERN1MAPKAPK2NPC1
SCHEMBL12647230 0.82 NPC1 (0.44) KDM4EERN1MAPKAPK2NPC1RAB9A
SCHEMBL12664063 0.79 ERN1 (0.43) KDM4EHTTERN1MAPKAPK2NPC1
SCHEMBL10565122 0.79 KDM4E (0.51) KDM4EHTTERN1MAPKAPK2NPC1
SCHEMBL4040801 0.77 KDM4E (0.55) SIRT3TDP1KDM4EHTTMAPKAPK2
SCHEMBL5800959 0.77 SIRT3 (0.56) SIRT3TDP1KDM4EHTTERN1
SCHEMBL29900258 0.75 KDM4E (0.57) SIRT3TDP1KDM4EHTTERN1
SCHEMBL356272 0.74 LDHA (0.69) KDM4EHTTNPC1RAB9ACYP1A1
SCHEMBL7843617 0.74 IMPDH2 (0.61) KDM4EHTTERN1MAPKAPK2CACNA1B
SCHEMBL9827957 0.74 ERN1 (0.59) KDM4EHTTERN1MAPKAPK2CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562822-B2 Heterocyle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
EP-1299360-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020188004-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-12-12 US disclosed
WO-2002004422-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO disclosed
US-4812565-A ANTIHISTAMINE INTERMEDIATES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-14 US disclosed
US-4810795-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1989-03-07 US disclosed
US-4727152-A Intermediates useful in the preparation of fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1988-02-23 US disclosed
US-4705853-A ANTIHISTAMINES A. H. ROBINS COMPANY, INC. (US) 1987-11-10 US disclosed
US-4642343-A ANTIHISTAMINES A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4604388-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof in a method of counteracting histamine A. H. ROBINS COMPANY, INCORPORATED (US) 1986-08-05 US disclosed
US-4592866-A Fused aromatic oxazepinones, thiazepinones, diazepinones and sulfur analogs thereof A. H. ROBINS COMPANY, INC. (US) 1986-06-03 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 (1 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-20020188004-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SIRT3 68/4885TDP1 1534/4885KDM4E 201/4885

“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.