SCHEMBL3180889

SCHEMBL3180889

O=C1CN(C(=O)CCc2ccc(-c3ccc(F)cc3)s2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.44
▸ TSHR P16473 1/20 0.42
▸ ME2 P23368 1/20 0.42
▸ ME1 P48163 1/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ RORC P51449 2/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ GFER P55789 1/20 0.34

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
SCHEMBL8469898 0.83 PARP1 (0.47) PARP1TSHRME2ME1ME3
SCHEMBL3163958 0.80 ME2 (0.49) ME2ME1ME3MEN1RAB9A
SCHEMBL8446282 0.78 HTT (0.54) TSHRME2ME1ME3L3MBTL1
Trifluoroacetic Acid SCHEMBL3169792 0.73 HTT (0.48) TSHRME2ME1ME3L3MBTL1
SCHEMBL3169908 0.71 RPS6KB2 (0.49) L3MBTL1MAPK1MEN1RAB9AKMT2A
SCHEMBL11806229 0.70 PARP1 (0.62) PARP1TSHRME2ME1ME3
SCHEMBL5676553 0.70 CACNA1F (0.49) TSHRL3MBTL1MAPK1RAB9A
SCHEMBL12003631 0.69 CACNA1B (0.53) PARP1TSHRL3MBTL1LMNAKDM1A
SCHEMBL3164037 0.69 RAB9A (0.50) ME2ME1ME3MEN1RAB9A
SCHEMBL24018903 0.68 KMT2A (0.46) L3MBTL1MEN1RAB9AKMT2A

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 11 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-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
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 PARP1 2206/4885TSHR 991/4885ME2 1009/4885

“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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