SCHEMBL6786285

SCHEMBL6786285

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CFTR P13569 1/20 0.40
RAB9A P51151 1/20 0.40
CMA1 P23946 1/20 0.39
IRAK1 P51617 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
ABL1 P00519 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL6791966 0.90 F7 (0.40) ALDH1A1KMT2AMEN1CFTRRAB9A
SCHEMBL23461160 0.79 CYP1A2 (0.48) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL6790731 0.76 F7 (0.46) ALDH1A1KMT2AMEN1CFTRRAB9A
SCHEMBL5846166 0.71 F2 (0.50) ALDH1A1KMT2AMEN1CFTRRAB9A
SCHEMBL23460627 0.70 CYP1A2 (0.46) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL23460798 0.69 F2 (0.47) ALDH1A1KMT2AMEN1RAB9AGAA
SCHEMBL6162376 0.69 ALOX5 (0.59) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL12856432 0.67 ALOX5 (0.61) ALDH1A1KMT2ARAB9AMAPTALOX5
SCHEMBL5335470 0.67 KMT2A (0.60) ALDH1A1KMT2ARAB9AMAPTALOX5
SCHEMBL6779464 0.67 RAB9A (0.50) ALDH1A1KMT2ARAB9AMAPTGAA

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 ALDH1A1 1468/4885KMT2A 4477/4885MEN1 1902/4885

“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.