SCHEMBL23542308

SCHEMBL23542308

O=C(CCCSc1nc2c(c(=O)[nH]1)CCCC2)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.69
▸ MAPT P10636 3/20 0.61
▸ HPGD P15428 4/20 0.59
▸ LMNA P02545 3/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL23542286 0.89 MMP9 (0.80) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542310 0.88 MMP9 (0.79) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542311 0.87 MAPT (0.80) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542285 0.87 MMP9 (0.69) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL27397745 0.86 MMP9 (0.70) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL27397748 0.86 MMP9 (0.70) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542309 0.86 HPGD (0.78) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL20510321 0.86 MMP9 (0.81) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542280 0.85 MMP9 (0.74) MMP9MAPTHPGDLMNASMN1; SMN2
SCHEMBL23542279 0.82 MMP9 (0.81) MMP9MAPTHPGDLMNASMN1; 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 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 MMP9 1/4885MAPT 422/4885HPGD 259/4885
US-20210309616-A1 SUBSTITUTED QUINAZOLINES AS MATRIX METALLOPROTEINASE-9 HEMOPEXIN DOMAIN INHIBITORS MMP2, MMP9, MMP10 MMP9 2/4885MAPT 4268/4885HPGD 171/4885
US-11040947-B2 Substituted quinazolines as matrix metalloproteinase-9 hemopexin domain inhibitors MMP2, CBR3, NR4A3 MMP9 14/4885MAPT 4861/4885HPGD 559/4885

“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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