SCHEMBL27397785

SCHEMBL27397785

O=C(NCCSc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.54
▸ LMNA P02545 4/20 0.53
▸ MMP13 P45452 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL27397793 0.94 MMP9 (0.56) HPGDLMNAMMP13TP53MMP9
SCHEMBL23542301 0.89 MMP9 (0.64) HPGDLMNAMMP13TP53MMP9
SCHEMBL23542306 0.88 TP53 (0.55) HPGDLMNAMMP13TP53MMP9
SCHEMBL27397788 0.87 MMP13 (0.52) HPGDLMNAMMP13TP53MMP9
SCHEMBL23542298 0.87 MAPT (0.61) HPGDMMP13TP53MMP9MEN1
SCHEMBL23542297 0.85 TP53 (0.54) HPGDLMNAMMP13TP53MMP9
SCHEMBL27397791 0.85 MMP9 (0.51) HPGDLMNAMMP13TP53MMP9
SCHEMBL23542296 0.84 MMP13 (0.54) HPGDLMNAMMP13TP53MMP9
SCHEMBL27397789 0.84 MAPT (0.51) HPGDLMNAMMP13TP53MMP9
SCHEMBL23542316 0.84 MMP9 (0.48) HPGDLMNAMMP13TP53MMP9

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-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-06-25 — — 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-12018003-B2 Substituted pyrimidines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP9, MMP7, MMP11 HPGD 259/4885LMNA 2799/4885MMP13 33/4885

“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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