SCHEMBL23542282

SCHEMBL23542282

O=C(CCCSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.81
▸ MAPT P10636 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HPGD P15428 6/20 0.60
▸ LMNA P02545 4/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ MMP13 P45452 1/20 0.60
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ GAA P10253 1/20 0.50

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
SCHEMBL23542284 0.91 MMP9 (0.83) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL20510185 0.90 MMP9 (1.00) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL20510321 0.90 MMP9 (0.81) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542309 0.88 HPGD (0.78) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542286 0.87 MMP9 (0.80) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542288 0.85 MMP9 (0.76) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542279 0.84 MMP9 (0.81) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542280 0.83 MMP9 (0.74) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542311 0.83 MAPT (0.80) MMP9MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23542310 0.82 MMP9 (0.79) MMP9MAPTALDH1A1SMN1; SMN2POLB

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 MMP9 1/4885MAPT 422/4885ALDH1A1 1859/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 MMP9 2/4885MAPT 4268/4885ALDH1A1 3478/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 MMP9 14/4885MAPT 4861/4885ALDH1A1 2992/4885

“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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