SCHEMBL27397789

SCHEMBL27397789

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.51
▸ MMP9 P14780 1/20 0.47
▸ HPGD P15428 5/20 0.47
▸ TP53 P04637 2/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ FPR1 P21462 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL27397800 0.95 MMP9 (0.50) MAPTMMP9HPGDTP53MMP13
SCHEMBL23542305 0.90 MAPT (0.50) MAPTMMP9HPGDTP53MMP13
SCHEMBL27397791 0.88 MMP9 (0.51) MAPTMMP9HPGDTP53MMP13
SCHEMBL23542324 0.85 MMP9 (0.49) MAPTMMP9HPGDTP53MMP13
SCHEMBL27397785 0.84 HPGD (0.54) MAPTMMP9HPGDTP53MMP13
SCHEMBL23542297 0.84 TP53 (0.54) MAPTMMP9HPGDTP53MMP13
SCHEMBL27397805 0.83 MMP9 (0.52) MAPTMMP9HPGDTP53MMP13
SCHEMBL27397788 0.82 MMP13 (0.52) MAPTMMP9HPGDTP53MMP13
SCHEMBL23542301 0.80 MMP9 (0.64) MAPTMMP9HPGDTP53MMP13
SCHEMBL23542298 0.80 MAPT (0.61) MAPTMMP9HPGDTP53MMP13

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 MAPT 422/4885MMP9 1/4885HPGD 259/4885

“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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