SCHEMBL23542297

SCHEMBL23542297

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.54
▸ MAPT P10636 5/20 0.49
▸ PARP1 P09874 2/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ HPGD P15428 5/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MMP13 P45452 1/20 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
SCHEMBL23542322 0.95 TP53 (0.52) TP53MAPTPARP1MMP9HPGD
SCHEMBL23542306 0.90 TP53 (0.55) TP53MAPTPARP1MMP9HPGD
SCHEMBL23542305 0.87 MAPT (0.50) TP53MAPTMMP9HPGDMEN1
SCHEMBL23542320 0.84 MMP9 (0.55) TP53MAPTPARP1MMP9HPGD
SCHEMBL23542324 0.82 MMP9 (0.49) TP53MAPTMMP9HPGDMEN1
SCHEMBL23542301 0.82 MMP9 (0.64) TP53MAPTMMP9HPGDALDH1A1
SCHEMBL23542296 0.81 MMP13 (0.54) TP53MAPTPARP1MMP9HPGD
SCHEMBL23542308 0.79 MMP9 (0.69) TP53MAPTMMP9HPGDMEN1
SCHEMBL23542298 0.77 MAPT (0.61) TP53MAPTPARP1MMP9HPGD
SCHEMBL23542316 0.75 MMP9 (0.48) TP53MAPTMMP9HPGDMEN1

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 TP53 864/4885MAPT 422/4885PARP1 416/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 TP53 903/4885MAPT 4268/4885PARP1 708/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 TP53 4643/4885MAPT 4861/4885PARP1 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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