SCHEMBL23542322

SCHEMBL23542322

O=C(NCCCSc1nc2c(c(=O)[nH]1)CCCC2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.52
▸ MMP9 P14780 1/20 0.51
▸ PARP1 P09874 2/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HPGD P15428 5/20 0.47
▸ TP53BP1 Q12888 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL23542297 0.95 TP53 (0.54) TP53MMP9PARP1MAPTHPGD
SCHEMBL23542320 0.90 MMP9 (0.55) TP53MMP9PARP1MAPTHPGD
SCHEMBL23542324 0.87 MMP9 (0.49) TP53MMP9MAPTHPGDMEN1
SCHEMBL27397805 0.87 MMP9 (0.52) TP53MMP9MAPTHPGDMEN1
SCHEMBL27397793 0.86 MMP9 (0.56) TP53MMP9MAPTHPGDMEN1
SCHEMBL27397800 0.84 MMP9 (0.50) TP53MMP9MAPTHPGDMEN1
SCHEMBL23542306 0.84 TP53 (0.55) TP53MMP9PARP1MAPTHPGD
SCHEMBL27397791 0.82 MMP9 (0.51) TP53MMP9MAPTHPGDMEN1
SCHEMBL23542305 0.82 MAPT (0.50) TP53MMP9MAPTHPGDMEN1
SCHEMBL23542308 0.81 MMP9 (0.69) TP53MMP9MAPTHPGDMEN1

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 TP53 864/4885MMP9 1/4885PARP1 416/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 TP53 903/4885MMP9 2/4885PARP1 708/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 TP53 4643/4885MMP9 14/4885PARP1 3262/4885

“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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