SCHEMBL3165997

SCHEMBL3165997

NC(=O)c1c([CH]Cc2ccccc2)cccc1-c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.34
PTGER3 P43115 6/20 0.34
PTGER1 P34995 5/20 0.34
PTGER2 P43116 5/20 0.34
SCN9A Q15858 3/20 0.33
PLA2G2A P14555 4/20 0.32
PLA2G10 O15496 3/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.31
PARP1 P09874 1/20 0.31
MAPK1 P28482 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
AURKB Q96GD4 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL7379228 0.70 PIM1 (0.38) PARP1PIM1PIM3AURKB
Carbamic Acid SCHEMBL27894860 0.69 CYP1A2 (0.45) PARP1MAPK1
SCHEMBL31310168 0.69 GRIN2D (0.48) PLA2G2APLA2G10
SCHEMBL3363233 0.68 HPGD (0.44) MAPK1
SCHEMBL3065165 0.68 PARP1 (0.46) PARP1MAPK1PIM1PIM3AURKB
SCHEMBL31422520 0.68 PIM1 (0.33) PARP1PIM1PIM3AURKB
SCHEMBL950000 0.68 FFAR1 (0.39) PLA2G2APLA2G10SLCO1B1PARP1PIM1
SCHEMBL28665677 0.68 BCAT2 (0.51) PARP1AURKB
SCHEMBL1557945 0.68 PIM1 (0.34) PIM1PIM3AURKB
SCHEMBL4655029 0.67 GP6 (0.49)

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
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US 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 (2 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-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 PTGER4 1716/4885PTGER3 377/4885PTGER1 1612/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 PTGER4 1716/4885PTGER3 377/4885PTGER1 1612/4885

“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.