SCHEMBL6791966

SCHEMBL6791966

COC(=O)c1cc(-c2c(Br)nc(NC(C)C)c(=O)n2CC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.40
F3 P13726 5/20 0.40
F2 P00734 3/20 0.40
CMA1 P23946 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 1/20 0.37
ELANE P08246 2/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.35
PRSS1 P07477 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
SCHEMBL6786285 0.90 ALDH1A1 (0.41) CMA1RAB9AALDH1A1CFTRIRAK1
SCHEMBL6790731 0.88 F7 (0.46) F7F3F2CMA1RAB9A
SCHEMBL23460798 0.83 F2 (0.47) F7F3F2RAB9AALDH1A1
SCHEMBL6797857 0.73 F7 (0.55) F7F3F2PRSS1
SCHEMBL6794077 0.73 F7 (0.44) F7F3F2ALDH1A1GAA
SCHEMBL6792408 0.71 F7 (0.54) F7F3F2PRSS1
SCHEMBL6797704 0.69 F7 (0.41) F7F3ALDH1A1GAAKMT2A
SCHEMBL6790578 0.69 F7 (0.43) F7F3F2CMA1RAB9A
SCHEMBL6790581 0.69 F7 (0.43) F7F3F2CMA1RAB9A
SCHEMBL5845992 0.69 F7 (0.62) F7F3F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885F3 16/4885F2 2/4885

“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.