SCHEMBL23542291

SCHEMBL23542291

COc1ccc(C(=O)NCCCSc2nc3c(c(=O)[nH]2)CCCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ MMP13 P45452 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ MMP9 P14780 1/20 0.52
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TNKS O95271 4/20 0.47
▸ TNKS2 Q9H2K2 3/20 0.47
▸ PARP1 P09874 3/20 0.47
▸ PARP2 Q9UGN5 3/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL23542298 0.94 MAPT (0.61) MAPTMMP13TP53MMP9HPGD
SCHEMBL27397796 0.89 HPGD (0.59) MAPTMMP13TP53MMP9HPGD
SCHEMBL23542293 0.88 TP53 (0.52) MAPTMMP13TP53MMP9HPGD
SCHEMBL27397793 0.87 MMP9 (0.56) MAPTMMP13TP53MMP9HPGD
SCHEMBL23542320 0.86 MMP9 (0.55) MAPTMMP13TP53MMP9HPGD
SCHEMBL23542296 0.82 MMP13 (0.54) MAPTMMP13TP53MMP9HPGD
SCHEMBL23542301 0.81 MMP9 (0.64) MAPTMMP13TP53MMP9HPGD
SCHEMBL27397785 0.81 HPGD (0.54) MAPTMMP13TP53MMP9HPGD
SCHEMBL27397800 0.81 MMP9 (0.50) MAPTMMP13TP53MMP9HPGD
SCHEMBL23542324 0.80 MMP9 (0.49) MAPTMMP13TP53MMP9HPGD

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 3 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-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 422/4885MMP13 33/4885TP53 864/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 MAPT 4268/4885MMP13 22/4885TP53 903/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 MAPT 4861/4885MMP13 39/4885TP53 4643/4885

“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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