SCHEMBL27397796

SCHEMBL27397796

Cc1ccc(C(=O)NCCCSc2nc3c(c(=O)[nH]2)CCCC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.59
▸ MMP13 P45452 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ TP53 P04637 2/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MAPT P10636 6/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ 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
SCHEMBL27397793 0.90 MMP9 (0.56) HPGDMMP13TP53MMP9MAPT
SCHEMBL23542291 0.89 MAPT (0.59) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL23542320 0.88 MMP9 (0.55) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL23542293 0.85 TP53 (0.52) HPGDMMP13TP53MMP9MAPT
SCHEMBL23542301 0.84 MMP9 (0.64) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL27397785 0.83 HPGD (0.54) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL23542298 0.83 MAPT (0.61) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL23542306 0.82 TP53 (0.55) HPGDMMP13CYP1A2CYP2C9CYP2C19
SCHEMBL27397805 0.81 MMP9 (0.52) HPGDMMP13TP53MMP9MAPT
SCHEMBL27397788 0.81 MMP13 (0.52) HPGDMMP13CYP1A2CYP2C9CYP2C19

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 1 patent. 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

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 HPGD 259/4885MMP13 33/4885CYP1A2 2212/4885

“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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