SCHEMBL6747097

SCHEMBL6747097

COc1ccc(COC(=O)c2cnc3c(c2)CN(C(C)c2ccc(C(=O)O)cc2)C(=O)N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MAOB P27338 1/20 0.39
PLA2G4B P0C869 1/20 0.39
MAPK1 P28482 5/20 0.37
ALKBH1 Q13686 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL6754372 0.88 MAPK1 (0.43) POLBNPC1RAB9ASMN1; SMN2RXRA
SCHEMBL6705942 0.87 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL6753606 0.86 POLB (0.41) POLBNPC1RAB9ASMN1; SMN2RXRA
SCHEMBL6706821 0.76 MMP13 (0.51) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6706802 0.76 NPC1 (0.51) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL6747093 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL6742558 0.72 MAPK1 (0.44) MAPK1
SCHEMBL10636593 0.70 NPC1 (0.71) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL6765615 0.69 SMN1; SMN2 (0.50) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL7399657 0.69 NPC1 (0.69) ALDH1A1KDM4EMAPTPOLBNPC1

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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors NAHRA JOE (US) 2004-03-04 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-20040043986-A1 5,6-Fused 3,4-dihydropyrimidine-2-one derivatives as matrix metalloproteinase inhibitors MMP9, MMP13, MMP25 ALDH1A1 705/4885KDM4E 517/4885MAPT 2021/4885

“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.