SCHEMBL6668534

SCHEMBL6668534

O=C(O)c1cc(-c2ccc(Br)cc2)ns1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALAD P13716 1/20 0.51
▸ MCL1 Q07820 6/20 0.49
▸ PTPN1 P18031 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.44
▸ EPRS1 P07814 4/20 0.41

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
SCHEMBL6667136 0.84 MAPT (0.51) ALADMCL1RXFP1
SCHEMBL6843818 0.84 TP53 (0.44) —
SCHEMBL28093059 0.83 CA12 (0.49) RXFP1
SCHEMBL6740513 0.83 ALAD (0.51) ALADMCL1
SCHEMBL15083062 0.81 MAPK14 (0.43) —
SCHEMBL4553247 0.79 PPARD (0.44) —
SCHEMBL15083064 0.75 HCAR2 (0.43) ALAD
SCHEMBL8842795 0.73 KMO (0.55) —
SCHEMBL27768493 0.73 TP53 (0.41) —
SCHEMBL8843416 0.72 KMO (0.52) —

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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds WARNER-LAMBERT COMPANY LLC 2004-09-02 — — US disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 — — WO disclosed
WO-2004014381-A2 MATRIX METALLOPROTEINASE INHIBITORS AND METHODS FOR IDENTIFICATION OF LEAD COMPOUNDS WARNER-LAMBERT COMPANY LLC. (US) 2004-02-19 — — 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-20040171543-A1 Matrix metalloproteinase inhibitors and methods for identification of lead compounds MMP13, MMP3, MMP26 ALAD 2498/4885MCL1 913/4885PTPN1 3521/4885

“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.

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