SCHEMBL479122

SCHEMBL479122

COC(=O)Nc1ccc(-c2cc(C(N)CC(=O)O)n[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.44
PTPN1 P18031 1/20 0.38
TNIK Q9UKE5 4/20 0.36
CIT O14578 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
ROCK1 Q13464 2/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 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
SCHEMBL479119 1.00 F11 (0.44) F11PTPN1TNIKCITSMN1; SMN2
SCHEMBL479338 0.87 F11 (0.53) F11CITSMN1; SMN2ROCK1
SCHEMBL479341 0.87 F11 (0.53) F11CITSMN1; SMN2ROCK1
SCHEMBL478746 0.81 F11 (0.46) F11MAPTLMNA
SCHEMBL478745 0.81 F11 (0.46) F11MAPTLMNA
SCHEMBL479189 0.75 F11 (0.51) F11SMN1; SMN2MAPTPOLB
SCHEMBL478516 0.75 PTPN2 (0.44) PTPN1MAPTALDH1A1
SCHEMBL478515 0.75 PTPN2 (0.44) PTPN1MAPTALDH1A1
SCHEMBL478790 0.73 CIT (0.34) F11CITROCK1SLC1A3SLC1A2
SCHEMBL479068 0.73 F11 (0.44) F11MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 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 (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-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 F11 1/4885PTPN1 1547/4885TNIK 380/4885

“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.