SCHEMBL3174768

SCHEMBL3174768

O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ POLB P06746 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ BLM P54132 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KLF5 Q13887 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ IDO1 P14902 1/20 0.49
▸ LDHA P00338 1/20 0.49

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
SCHEMBL24499172 0.82 MAPT (0.54) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL4872272 0.79 TACR1 (0.54) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL3164015 0.77 MAPT (1.00) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL6628026 0.75 LMNA (0.52) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL24498951 0.74 MAPT (0.53) MAPTTP53ALDH1A1RXFP1KMT2A
SCHEMBL12487210 0.74 MPO (0.78) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL837694 0.73 GAA (0.68) MAPTKMT2APOLBMEN1TDP1
SCHEMBL13830901 0.73 MAPT (0.60) MAPTTP53ALDH1A1KMT2APOLB
SCHEMBL12285439 0.72 MAPT (1.00) MAPTTP53ALDH1A1RXFP1KMT2A
SCHEMBL18688798 0.71 KMT2A (0.51) MAPTTP53ALDH1A1RXFP1KMT2A

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 8 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
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

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 MAPT 4836/4885TP53 4788/4885ALDH1A1 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.

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