SCHEMBL8178586

SCHEMBL8178586

COC(=O)c1c(C#N)ccc(N)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 10/20 0.39
HPGD P15428 7/20 0.39
GAA P10253 6/20 0.39
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 5/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
MAPK10 P53779 1/20 0.38
CFTR P13569 1/20 0.38
IKBKB O14920 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CISD2 Q8N5K1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL23070168 0.88 LMNA (0.40) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL20046888 0.84 CA12 (0.39) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL6817905 0.83 CA12 (0.42) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL4728025 0.81 ALDH1A1 (0.49) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL16850295 0.79 MAPK1 (0.38) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL912906 0.78 ALDH1A1 (0.43) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL30599566 0.78 ALDH1A1 (0.43) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL13162557 0.78 ALDH1A1 (0.47) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL18006732 0.78 MEN1 (0.41) LMNAALDH1A1HPGDGAAKDM4E
SCHEMBL30108114 0.77 ALDH1A1 (0.42) LMNAALDH1A1HPGDGAAKDM4E

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-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 LMNA 727/4885ALDH1A1 4405/4885HPGD 4578/4885

“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.