SCHEMBL3179012

SCHEMBL3179012

O=C(CCc1ccc(-c2ccc(OC(F)(F)F)cc2)s1)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ ERCC5 P28715 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ ME2 P23368 1/20 0.45
▸ ME1 P48163 1/20 0.45
▸ ME3 Q16798 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.41
▸ NAAA Q02083 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MCHR1 Q99705 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL3177317 0.89 ME2 (0.46) EPHX2ERCC5FEN1ME2ME1
SCHEMBL3174013 0.86 ME2 (0.54) ERCC5FEN1ME2ME1ME3
SCHEMBL9002861 0.85 ALDH1A1 (0.58) ME2ME1ME3ALDH1A1LMNA
SCHEMBL3180692 0.84 ME2 (0.52) ME2ME1ME3ALDH1A1MAPT
SCHEMBL3163958 0.83 ME2 (0.49) ME2ME1ME3ALDH1A1NAAA
SCHEMBL3164037 0.81 RAB9A (0.50) ME2ME1ME3ALDH1A1MAPT
SCHEMBL3173589 0.81 ERCC5 (0.55) ERCC5FEN1
SCHEMBL12895459 0.80 NPC1 (0.57) EPHX2ALDH1A1LMNAMAPTHRH3
SCHEMBL12836705 0.78 NPC1 (0.59) EPHX2ALDH1A1LMNAMAPTHRH3
SCHEMBL3174042 0.78 EPHX2 (0.50) EPHX2ERCC5FEN1ALDH1A1MAPT

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 7 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
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
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 EPHX2 209/4885ERCC5 4014/4885FEN1 2945/4885

“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.

Send feedback