SCHEMBL27397793

SCHEMBL27397793

O=C(NCCCSc1nc2c(c(=O)[nH]1)CCCC2)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.56
▸ HPGD P15428 5/20 0.54
▸ LMNA P02545 3/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ SPR P35270 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL27397785 0.94 HPGD (0.54) MMP9HPGDLMNATP53MMP13
SCHEMBL27397796 0.90 HPGD (0.59) MMP9HPGDLMNATP53MMP13
SCHEMBL23542320 0.88 MMP9 (0.55) MMP9HPGDLMNATP53MMP13
SCHEMBL23542291 0.87 MAPT (0.59) MMP9HPGDTP53MMP13MEN1
SCHEMBL27397805 0.87 MMP9 (0.52) MMP9HPGDLMNATP53MMP13
SCHEMBL23542322 0.86 TP53 (0.52) MMP9HPGDLMNATP53MMP13
SCHEMBL23542293 0.85 TP53 (0.52) MMP9HPGDLMNATP53MMP13
SCHEMBL27397800 0.85 MMP9 (0.50) MMP9HPGDLMNATP53MMP13
SCHEMBL23542324 0.84 MMP9 (0.49) MMP9HPGDLMNATP53MMP13
SCHEMBL23542301 0.83 MMP9 (0.64) MMP9HPGDLMNATP53MMP13

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 MMP9 1/4885HPGD 259/4885LMNA 2799/4885

“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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