SCHEMBL27397754

SCHEMBL27397754

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

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.81
▸ MAPT P10636 5/20 0.61
▸ POLB P06746 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HPGD P15428 5/20 0.56
▸ LMNA P02545 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 1/20 0.53
▸ GAA P10253 1/20 0.50
▸ TDP1 Q9NUW8 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
SCHEMBL23542284 0.91 MMP9 (0.83) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL27397735 0.90 MMP9 (0.81) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL20510185 0.90 MMP9 (1.00) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL23542282 0.90 MMP9 (0.81) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL20510321 0.90 MMP9 (0.81) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL27397748 0.88 MMP9 (0.70) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL23542286 0.87 MMP9 (0.80) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL23542288 0.85 MMP9 (0.76) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL23542279 0.84 MMP9 (0.81) MMP9MAPTPOLBL3MBTL1ALDH1A1
SCHEMBL23542311 0.83 MAPT (0.80) MMP9MAPTPOLBL3MBTL1ALDH1A1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 422/4885POLB 661/4885

“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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