SCHEMBL3173201

SCHEMBL3173201

Oc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.63
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 3/20 0.63
AR P10275 4/20 0.56
KDM4E B2RXH2 2/20 0.56
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
NPY5R Q15761 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
LTA4H P09960 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL8515140 0.83 LTA4H (0.68) ALOX5RAB9AALDH1A1KDM4EATP4A
SCHEMBL19006692 0.80 LTA4H (0.48) ALOX5RAB9AALDH1A1KDM4EATP4A
SCHEMBL11491535 0.80 LTA4H (0.58) ALOX5RAB9AALDH1A1KDM4EATP4A
SCHEMBL28728351 0.80 RAB9A (0.56) ALOX5RAB9AALDH1A1KDM4EMAPT
SCHEMBL20504926 0.80 RAB9A (0.61) RAB9AALDH1A1KDM4EMAPTLMNA
SCHEMBL3761557 0.79 ALDH1A1 (0.61) ALOX5RAB9AALDH1A1ARKDM4E
SCHEMBL10373934 0.79 KDM4E (0.53) RAB9AALDH1A1ARKDM4EMAPT
SCHEMBL3934931 0.78 ALDH1A1 (0.56) ALOX5RAB9AALDH1A1ARKDM4E
SCHEMBL26135206 0.78 KDM4E (0.73) ALOX5RAB9AALDH1A1ARKDM4E
SCHEMBL3761118 0.78 RAB9A (0.66) ALOX5RAB9AALDH1A1ARKDM4E

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 5 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP 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 ALOX5 212/4885RAB9A 3124/4885ALDH1A1 3253/4885

“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.