SCHEMBL30317599

SCHEMBL30317599

CNC1=CC(=O)c2cc(C)ncc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ BLM P54132 6/20 0.37
▸ TP53 P04637 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ MAPK1 P28482 4/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33

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
Mansouramycin B SCHEMBL29886187 0.85 MAPT (0.36) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL30317483 0.80 TP53 (0.40) MAPTSMN1; SMN2BLMTP53CYP3A4
Caulibugulone A SCHEMBL2555738 0.75 MAPT (0.63) MAPTSMN1; SMN2BLMTP53CYP3A4
Mansouramycin A SCHEMBL29884737 0.72 — —
SCHEMBL4540326 0.71 MAPT (0.61) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL29633340 0.71 MAPT (0.61) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL29885548 0.70 MAPT (0.44) MAPTSMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL2434782 0.65 CYP1A2 (0.39) ALDH1A1MAOBCYP1A2KMT2ATDP1
SCHEMBL23235899 0.65 GABRP (0.55) MAPTSMN1; SMN2BLMTP53CYP3A4
SCHEMBL30754597 0.64 PTGS2 (0.31) BLMMEN1KMT2ATDP1

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-11629174-B2 Cryptic metabolites and method for activating silent biosynthetic gene clusters in actinomycete bacteria THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2023-04-18 — — 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-11629174-B2 Cryptic metabolites and method for activating silent biosynthetic gene clusters in actinomycete bacteria FBL, EI24, SUB1 MAPT 4576/4885SMN1; SMN2 4838/4885BLM 3256/4885

“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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