SCHEMBL23542305

SCHEMBL23542305

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ TP53 P04637 2/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ HPGD P15428 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL23542324 0.95 MMP9 (0.49) MAPTTP53MMP13HPGDLMNA
SCHEMBL27397789 0.90 MAPT (0.51) MAPTTP53MMP13HPGDLMNA
SCHEMBL23542296 0.89 MMP13 (0.54) MAPTTP53MMP13HPGDLMNA
SCHEMBL23542297 0.87 TP53 (0.54) MAPTTP53MMP13HPGDLMNA
SCHEMBL27397800 0.85 MMP9 (0.50) MAPTTP53MMP13HPGDLMNA
SCHEMBL23542293 0.84 TP53 (0.52) MAPTTP53MMP13HPGDLMNA
SCHEMBL27397785 0.83 HPGD (0.54) MAPTTP53MMP13HPGDLMNA
SCHEMBL27397791 0.83 MMP9 (0.51) MAPTTP53MMP13HPGDLMNA
SCHEMBL23542322 0.82 TP53 (0.52) MAPTTP53MMP13HPGDLMNA
SCHEMBL23542306 0.82 TP53 (0.55) MAPTTP53MMP13HPGDLMNA

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 4 patents. 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
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
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-10-07 — — US disclosed
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-06-22 — — 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 (3 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 MAPT 422/4885TP53 864/4885MMP13 33/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 MAPT 4268/4885TP53 903/4885MMP13 22/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 MAPT 4861/4885TP53 4643/4885MMP13 39/4885

“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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