SCHEMBL23542298

SCHEMBL23542298

COc1ccc(C(=O)NCCSc2nc3c(c(=O)[nH]2)CCCC3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ TP53 P04637 2/20 0.59
▸ MMP13 P45452 2/20 0.59
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ TNKS O95271 2/20 0.48
▸ TNKS2 Q9H2K2 2/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ PARP2 Q9UGN5 1/20 0.48
▸ MDM2 Q00987 1/20 0.47

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
SCHEMBL23542291 0.94 MAPT (0.59) MAPTTP53MMP13NPC1RAB9A
SCHEMBL23542296 0.88 MMP13 (0.54) MAPTTP53MMP13ALDH1A1SMN1; SMN2
SCHEMBL23542301 0.87 MMP9 (0.64) MAPTTP53MMP13ALDH1A1MMP9
SCHEMBL27397785 0.87 HPGD (0.54) MAPTTP53MMP13MEN1KMT2A
SCHEMBL23542306 0.85 TP53 (0.55) MAPTTP53MMP13ALDH1A1MMP9
SCHEMBL27397788 0.84 MMP13 (0.52) MAPTTP53MMP13ALDH1A1SMN1; SMN2
SCHEMBL27397796 0.83 HPGD (0.59) MAPTTP53MMP13ALDH1A1MEN1
SCHEMBL23542293 0.82 TP53 (0.52) MAPTTP53MMP13ALDH1A1SMN1; SMN2
SCHEMBL27397793 0.81 MMP9 (0.56) MAPTTP53MMP13MEN1KMT2A
SCHEMBL27397789 0.80 MAPT (0.51) MAPTTP53MMP13ALDH1A1SMN1; SMN2

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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