SCHEMBL3708235

SCHEMBL3708235

Oc1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
CASP3 P42574 2/20 0.63
SENP8 Q96LD8 2/20 0.63
SENP7 Q9BQF6 2/20 0.63
SENP6 Q9GZR1 2/20 0.63
CDK5 Q00535 5/20 0.58
CDK5R1 Q15078 5/20 0.58
CYP19A1 P11511 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CDC7 O00311 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL6741892 0.85 CYP19A1 (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL21122121 0.85 CDK5 (0.84) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29437815 0.85 CDK5 (0.84) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL12124985 0.82 NPC1 (0.75) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL5130538 0.81 NPC1 (0.68) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6534809 0.79 NPC1 (0.71) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL30751167 0.79 NPC1 (0.71) NPC1RAB9ACASP3SENP8SENP7
2-Phenyl-1H-Indole SCHEMBL29363616 0.78 NPC1 (1.00) NPC1RAB9ACASP3SENP8SENP7
2-Phenyl-1H-Indole SCHEMBL341378 0.78 NPC1 (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL3711446 0.78 NPC1 (0.63) NPC1RAB9ACASP3SENP8SENP7

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
CN-104151292-A Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL 2014-11-19 CN disclosed
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
CN-102498097-A Indole derivatives or pharmaceutically acceptable salts thereof KISSEI PHARMACEUTICAL 2012-06-13 CN disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-4113736-A NONTOXIC POLYMER STABILIZERS S. A. LABAZ (BE) 1978-09-12 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R NPC1 1150/4885RAB9A 1646/4885CASP3 4492/4885

“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.