SCHEMBL8446308

SCHEMBL8446308

O=C(CNc1nc(-c2ccc(F)cc2)cs1)Nc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
LMNA P02545 3/20 0.60
ROCK1 Q13464 2/20 0.60
MGLL Q99685 2/20 0.60
MAPK1 P28482 3/20 0.58
ALOX5 P09917 3/20 0.56
MEN1 O00255 6/20 0.56
RAB9A P51151 3/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
PRKACA P17612 1/20 0.55
MAPT P10636 4/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
PKM P14618 1/20 0.53
GFER P55789 1/20 0.52

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
SCHEMBL8452345 0.94 LMNA (0.70) KMT2ALMNAROCK1MGLLMAPK1
Trifluoroacetic Acid SCHEMBL3173772 0.93 LMNA (0.57) KMT2ALMNAROCK1MGLLMAPK1
Trifluoroacetic Acid SCHEMBL3170055 0.89 LMNA (0.64) KMT2ALMNAROCK1MGLLMAPK1
SCHEMBL8446321 0.84 KMT2A (0.59) KMT2ALMNAROCK1MAPK1MEN1
SCHEMBL4742174 0.83 KMT2A (0.59) KMT2ALMNAROCK1MAPK1ALOX5
SCHEMBL4590880 0.83 KMT2A (0.59) KMT2ALMNAROCK1MAPK1ALOX5
SCHEMBL9003427 0.82 ALDH1A1 (0.63) KMT2ALMNAROCK1MAPK1ALOX5
SCHEMBL28575151 0.81 ALOX5 (0.69) KMT2ALMNAROCK1MAPK1ALOX5
SCHEMBL8446320 0.81 KMT2A (0.55) KMT2ALMNAROCK1MAPK1ALOX5
SCHEMBL4743979 0.81 ROCK1 (0.87) KMT2ALMNAROCK1MAPK1ALOX5

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
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 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 (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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 KMT2A 1573/4885LMNA 2141/4885ROCK1 594/4885

“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.