SCHEMBL6754368

SCHEMBL6754368

COc1ccc(COC(=O)c2ccc3c(c2)CN(Cc2ccc(C(=O)O)cc2)C(=O)N3C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
PLA2G4B P0C869 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
HDAC1 Q13547 2/20 0.39
ERCC5 P28715 2/20 0.39
FEN1 P39748 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL6706004 0.89 PTGS2 (0.42) RAB9ASMN1; SMN2HDAC6HDAC1KMT2A
SCHEMBL6813351 0.88 HDAC6 (0.40) SMN1; SMN2HDAC6SRD5A1SRD5A2HDAC1
SCHEMBL6706175 0.88 HDAC6 (0.40) SMN1; SMN2HDAC6HDAC1
SCHEMBL6753604 0.87 POLB (0.43) NPC1POLBRAB9ASMN1; SMN2HDAC6
SCHEMBL6706798 0.84 MAPT (0.55) SMN1; SMN2
SCHEMBL6765613 0.83 MEN1 (0.52) NPC1POLBRAB9ASMN1; SMN2HDAC6
SCHEMBL6704944 0.82 THRB (0.45) NPC1RAB9ASMN1; SMN2HDAC6SRD5A1
SCHEMBL6742554 0.80 PTGER4 (0.48) HDAC6HDAC1FEN1
SCHEMBL6705934 0.78 HDAC6 (0.42) HDAC6SRD5A1SRD5A2HDAC1ERCC5
SCHEMBL6706820 0.75 MMP13 (0.57) POLBHDAC6KMT2AMEN1

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 NPC1 2473/4885POLB 1091/4885RAB9A 961/4885

“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.