SCHEMBL8470197

SCHEMBL8470197

Cc1ccc(-c2ccccc2F)c[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
PTPRC P08575 1/20 0.40
PTPN1 P18031 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIA4 P48058 5/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.36
PGR P06401 1/20 0.36
PTGS2 P35354 3/20 0.36

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
SCHEMBL9716210 0.77 PTGS2 (0.41) L3MBTL1ALDH1A1PTGS2
SCHEMBL12856701 0.72 PTPRC (0.56) L3MBTL1PTPRCPTPN1TNKSTNKS2
SCHEMBL30638498 0.71 L3MBTL1 (0.56) L3MBTL1PTPRCPTPN1TNKSTNKS2
SCHEMBL265482 0.71 L3MBTL1 (0.56) L3MBTL1PTPRCPTPN1TNKSTNKS2
SCHEMBL10091207 0.70 L3MBTL1 (0.54) L3MBTL1PTPRCPTPN1TNKSTNKS2
SCHEMBL28186856 0.70 PTPRC (0.46) L3MBTL1PTPRCPTPN1NPSR1MEN1
SCHEMBL29547174 0.69 ACHE (0.47) L3MBTL1PTPRCPTPN1NPSR1MEN1
SCHEMBL197834 0.69 ACHE (0.47) L3MBTL1PTPRCPTPN1NPSR1MEN1
SCHEMBL24593918 0.69 LMNA (0.41) L3MBTL1NPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL8460045 0.69 POLB (0.39) L3MBTL1NPSR1MEN1NPC1NFKB1

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-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
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 L3MBTL1 4350/4885PTPRC 2968/4885PTPN1 2335/4885

“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.