SCHEMBL27397791

SCHEMBL27397791

O=C(NCCSc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ HPGD P15428 6/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL27397805 0.95 MMP9 (0.52) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL27397788 0.89 MMP13 (0.52) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL27397789 0.88 MAPT (0.51) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL27397785 0.85 HPGD (0.54) MMP9MAPTHPGDLMNATP53
SCHEMBL23542297 0.85 TP53 (0.54) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL27397800 0.84 MMP9 (0.50) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL23542305 0.83 MAPT (0.50) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL23542322 0.82 TP53 (0.52) MMP9MAPTHPGDSMN1; SMN2LMNA
SCHEMBL23542301 0.82 MMP9 (0.64) MMP9MAPTHPGDLMNAALDH1A1
SCHEMBL27397793 0.82 MMP9 (0.56) MMP9MAPTHPGDLMNATP53

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 1/4885MAPT 422/4885HPGD 259/4885

“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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