SCHEMBL3174036

SCHEMBL3174036

Clc1ccc(-c2s[c]nc2Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.41
▸ CASP3 P42574 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMO O15229 6/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PKM P14618 1/20 0.35
▸ RCE1 Q9Y256 1/20 0.35
▸ NPFFR1 Q9GZQ6 1/20 0.35
▸ NPFFR2 Q9Y5X5 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17625961 0.84 AHR (0.45) AHRNPC1RAB9ACYP1B1KDM4E
SCHEMBL557949 0.76 KDM4E (0.36) KDM4EALDH1A1MAPTL3MBTL1PKM
SCHEMBL17626167 0.76 IDO1 (0.43) AHRCYP1B1KDM4EALDH1A1MAPT
SCHEMBL17626002 0.74 KMO (0.40) AHRKDM4EALDH1A1KMOCYP3A4
SCHEMBL17626210 0.71 KDM4E (0.44) AHRNPC1RAB9ACYP1B1KDM4E
SCHEMBL17626346 0.71 AHR (0.43) AHRNPC1RAB9ACYP1B1KDM4E
SCHEMBL28053463 0.71 KDM4E (0.39) AHRNPC1RAB9AKDM4EALDH1A1
SCHEMBL17626244 0.68 AHR (0.39) AHRNPC1RAB9ACYP1B1KDM4E
SCHEMBL17626083 0.68 AHR (0.39) AHRNPC1RAB9ACYP1B1KDM4E
SCHEMBL137915 0.67 AHR (1.00) AHRNPC1RAB9ACYP1B1KDM4E

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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 — — US claimed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 — — US claimed
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 claimed
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 claimed
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 claimed
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 AHR 323/4885NPC1 2911/4885RAB9A 3124/4885

“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.

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