SCHEMBL3707467

SCHEMBL3707467

OCc1ccc2cc(-c3ccccc3)[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.58
SENP8 Q96LD8 3/20 0.58
SENP7 Q9BQF6 3/20 0.58
SENP6 Q9GZR1 3/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
PPARG P37231 1/20 0.54
RIPK1 Q13546 1/20 0.47
CYP19A1 P11511 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
F2 P00734 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL16382883 0.87 PPARG (0.70) CASP3SENP8SENP7SENP6NPC1
SCHEMBL4568028 0.83 NPC1 (0.58) CASP3SENP8SENP7SENP6NPC1
SCHEMBL10176468 0.79 NPC1 (0.61) CASP3SENP8SENP7SENP6NPC1
SCHEMBL12124985 0.78 NPC1 (0.75) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3708235 0.77 NPC1 (0.63) CASP3SENP8SENP7SENP6NPC1
SCHEMBL3698674 0.77 CASP3 (0.55) CASP3SENP8SENP7SENP6NPC1
SCHEMBL5130538 0.77 NPC1 (0.68) CASP3SENP8SENP7SENP6NPC1
SCHEMBL16382890 0.75 PPARG (0.52) CASP3SENP8SENP7SENP6NPC1
2-Phenyl-1H-Indole SCHEMBL29363616 0.74 NPC1 (1.00) CASP3SENP8SENP7SENP6NPC1
2-Phenyl-1H-Indole SCHEMBL341378 0.74 NPC1 (1.00) CASP3SENP8SENP7SENP6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334275-B2 Processes for preparing indoles NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-05-10 US disclosed
US-20150005494-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-01-01 US disclosed
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
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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20150005494-A1 PROCESSES FOR PREPARING INDOLES IDO1, INMT, IDO2 CASP3 2479/4885SENP8 3805/4885SENP7 3621/4885
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CASP3 4492/4885SENP8 4134/4885SENP7 4289/4885

“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.