SCHEMBL4697892

SCHEMBL4697892

CCC(=O)Nc1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.44
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
CNR1 P21554 4/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3364208 0.88 CRHR1 (0.49) CRHR1HTTKDM4ELMNACNR1
SCHEMBL14206654 0.88 CRHR1 (0.46) CRHR1CNR1MEN1KMT2A
SCHEMBL3366726 0.87 CRHR1 (0.45) CRHR1MAPTGAACNR1MEN1
SCHEMBL3366050 0.86 CRHR1 (0.46) CRHR1HTTKDM4ECASP1CASP7
SCHEMBL3363935 0.85 CRHR1 (0.44) CRHR1HTTMAPTGAACNR1
SCHEMBL7059966 0.81 CRHR1 (0.53) CRHR1
SCHEMBL3364212 0.79 CRHR1 (0.46) CRHR1KDM4EHSD17B10GAACNR1
SCHEMBL3367593 0.78 CRHR1 (0.44) CRHR1KDM4EHSD17B10NPC1LMNA
SCHEMBL3846236 0.78 CRHR1 (0.45) CRHR1KDM4EMAPTRAB9ACNR1
SCHEMBL14206630 0.77 CRHR1 (0.49) CRHR1KDM4EMAPTHSD17B10GAA

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 CRHR1 1/4885HTT 2494/4885KDM4E 4580/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 CRHR1 1/4885HTT 2482/4885KDM4E 4580/4885

“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.