SCHEMBL2997812

SCHEMBL2997812

NCc1ccc(Cl)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
IDO1 P14902 5/20 0.41
PNMT P11086 3/20 0.40
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
SLC22A1 O15245 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL6925806 0.82 CYP2A6 (0.44) CYP2A6IDO1PNMTCYP3A4CYP1A2
SCHEMBL31454441 0.79 IDO1 (0.41) CYP2A6IDO1CYP3A4CYP1A2CYP2C9
SCHEMBL4608241 0.79 IDO1 (0.41) CYP2A6IDO1CYP3A4CYP1A2CYP2C9
SCHEMBL701343 0.78 CYP2A6 (0.48) CYP2A6IDO1PNMTCYP3A4CYP1A2
SCHEMBL4280341 0.77 IDO1 (0.40) IDO1CYP3A4CYP1A2CYP2C9MAPK1
SCHEMBL31454434 0.77 IDO1 (0.41) IDO1CYP3A4CYP1A2CYP2C9MAPK1
SCHEMBL1197989 0.77 IDO1 (0.41) IDO1CYP3A4CYP1A2CYP2C9MAPK1
SCHEMBL1995097 0.77 IDO1 (0.40) IDO1CYP3A4CYP1A2CYP2C9MAPK1
SCHEMBL109291 0.76 IDO1 (0.60) CYP2A6IDO1PNMTCYP3A4CYP1A2
SCHEMBL14625313 0.76 CYP2A6 (0.43) CYP2A6IDO1PNMTCYP3A4CYP1A2

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-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CYP2A6 4301/4885IDO1 2881/4885PNMT 4133/4885

“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.