SCHEMBL1638233

SCHEMBL1638233

Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.73
RAB9A P51151 6/20 0.73
MLYCD O95822 1/20 0.66
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NAMPT P43490 3/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ESR1 P03372 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
MCL1 Q07820 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
CYP2A6 P11509 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53

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
SCHEMBL11059466 1.00 NPC1 (0.73) NPC1RAB9AMLYCDMAPTSMN1; SMN2
SCHEMBL9337665 0.91 MLYCD (0.76) NPC1RAB9AMLYCDMAPTMEN1
SCHEMBL6263516 0.91 MLYCD (0.76) NPC1RAB9AMLYCDMAPTMEN1
SCHEMBL12310125 0.86 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL15214321 0.86 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL27181403 0.86 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL822378 0.86 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL14580374 0.86 RAB9A (1.00) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL13719442 0.85 SCN10A (0.67) NPC1RAB9AMLYCDSMN1; SMN2MEN1
SCHEMBL14825225 0.85 SCN10A (0.60) NPC1RAB9AMLYCDMAPTSMN1; SMN2

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-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 EP 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 (4 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 NPC1 1975/4885RAB9A 3790/4885MLYCD 3429/4885
US-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885MLYCD 1324/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 NPC1 1290/4885RAB9A 3885/4885MLYCD 3917/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 NPC1 3340/4885RAB9A 3332/4885MLYCD 1324/4885

“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.