SCHEMBL4698423

SCHEMBL4698423

Cn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1C(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 2/20 0.49
ALPL P05186 1/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
MAPK1 P28482 1/20 0.43
SMPD1 P17405 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL3367536 0.81 CRHR1 (0.49) ALPLKDM4EMAPK1CRHR1
SCHEMBL14206630 0.81 CRHR1 (0.49) HPGDKDM4EMAPK1KMT2AMAPT
SCHEMBL14206651 0.81 MAPK8 (0.43) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3364750 0.80 CRHR1 (0.48) HPGDKDM4EMAPK1MAPTDPP4
SCHEMBL3364408 0.78 CRHR1 (0.46) RAB9AHPGDHTTL3MBTL1LMNA
SCHEMBL3367449 0.78 CRHR1 (0.46) HPGDALPLKDM4EMEN1KMT2A
SCHEMBL3367441 0.78 CRHR1 (0.47) HPGDHTTALPLKDM4ELMNA
SCHEMBL3364166 0.78 CRHR1 (0.42) SMN1; SMN2HPGDHTTKDM4EMAPK1
SCHEMBL3846236 0.78 CRHR1 (0.45) RAB9AALPLKDM4EMAPTDPP4
SCHEMBL4697476 0.77 CYP2A13 (0.46) NPC1RAB9ASMN1; SMN2HTTKDM4E

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 9 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 claimed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP claimed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO claimed
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 NPC1 620/4885RAB9A 1974/4885SMN1; SMN2 3382/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 NPC1 551/4885RAB9A 1624/4885SMN1; SMN2 3113/4885

“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.