SCHEMBL4697350

SCHEMBL4697350

COCC(=O)Nc1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
CRHR1 P34998 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
APOBEC3A P31941 3/20 0.37
APOBEC3G Q9HC16 3/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA2 P47869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4701274 0.81 LCK (0.37) CRHR1
SCHEMBL3362569 0.80 CRHR1 (0.40) CRHR1GABRG2GABRB3GABRA2
SCHEMBL4697890 0.79 CRHR1 (0.48) CRHR1HSD17B10MAPTKDM4ECASP7
Hydrochloric Acid SCHEMBL6186878 0.78 CRHR1 (0.47) CRHR1HSD17B10MAPTKDM4ECASP7
SCHEMBL3364499 0.78 CRHR1 (0.41) CRHR1GABRG2GABRB3GABRA2
SCHEMBL4697395 0.75 CRHR1 (0.49) ATMCRHR1RXFP1MAPTTP53
SCHEMBL4700361 0.73 CRHR1 (0.40) CRHR1KDM4EGABRG2GABRB3GABRA2
SCHEMBL3364390 0.73 CRHR1 (0.40) CRHR1MAPTKDM4EGABRG2GABRB3
SCHEMBL3364082 0.72 CRHR1 (0.45) CRHR1MAPTTP53HTTALDH1A1
Hydrochloric Acid SCHEMBL3365007 0.71 CRHR1 (0.44) CRHR1MAPTTP53HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (2 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH ATM 3871/4885CRHR1 1/4885RXFP1 101/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 ATM 4100/4885CRHR1 1/4885RXFP1 99/4885

“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.