SCHEMBL6753604

SCHEMBL6753604

COc1ccc(COC(=O)c2cc3c(cn2)N(C)C(=O)N(Cc2ccc(C(=O)O)cc2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP13 P45452 4/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
PLA2G4B P0C869 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALKBH1 Q13686 1/20 0.37

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
SCHEMBL6754368 0.87 NPC1 (0.44) POLBSMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL6706820 0.85 MMP13 (0.57) POLBMMP13SLC22A8HDAC6KMT2A
SCHEMBL6706004 0.77 PTGS2 (0.42) SMN1; SMN2RAB9AHDAC6KMT2AHDAC1
SCHEMBL6813351 0.76 HDAC6 (0.40) SMN1; SMN2HDAC6OPRM1OPRL1KMT2A
SCHEMBL6706175 0.75 HDAC6 (0.40) SMN1; SMN2HDAC6HDAC1
SCHEMBL6706798 0.75 MAPT (0.55) SMN1; SMN2MMP13
SCHEMBL6765613 0.74 MEN1 (0.52) POLBSMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL6742554 0.73 PTGER4 (0.48) MMP13HDAC6HDAC1EGLN1
SCHEMBL6705952 0.73 ERCC5 (0.40)
SCHEMBL6706045 0.73 TAS2R8 (0.39) HDAC6TDP1HDAC1

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 2 patents. 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
WO-2004014869-A2 5,6-FUSED 3,4-DIHYDROPYRIMIDINE-2-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 POLB 1091/4885SMN1; SMN2 1067/4885NPC1 2473/4885

“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.