SCHEMBL6706802

SCHEMBL6706802

COc1ccc(CNC(=O)c2ccc3c(c2)CN(C(C)c2ccc(C(=O)O)cc2)C(=O)N3)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MMP13 P45452 3/20 0.47
NR1H4 Q96RI1 2/20 0.46
DRD2 P14416 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
GFER P55789 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL6705942 0.88 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MMP13
SCHEMBL6706821 0.88 MMP13 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2MMP13
SCHEMBL6754372 0.86 MAPK1 (0.43) NPC1RAB9ASMN1; SMN2POLBMAPK1
SCHEMBL5696883 0.82 ALDH1A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MMP13
SCHEMBL6391368 0.79 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2MMP13
SCHEMBL6742558 0.79 MAPK1 (0.44) MMP13MAPK1
SCHEMBL6753606 0.77 POLB (0.41) NPC1RAB9ASMN1; SMN2MMP13POLB
SCHEMBL3195288 0.76 EPHX2 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2NR1H4
SCHEMBL6747097 0.76 ALDH1A1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5696983 0.75 ALDH1A1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2NR1H4

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 4 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 claimed
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 claimed
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 NPC1 2473/4885RAB9A 961/4885ALDH1A1 705/4885

“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.