SCHEMBL5053501

SCHEMBL5053501

COc1cccc(Cn2ccnc2C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.53
OPRD1 P41143 2/20 0.52
OPRK1 P41145 2/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.52
OPRM1 P35372 1/20 0.51
PTGER4 P35408 1/20 0.49
PTGER2 P43116 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
CMA1 P23946 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HCAR3 P49019 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ALKBH1 Q13686 1/20 0.47
PTGER3 P43115 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL10507115 0.84 CYP1A2 (0.53) OPRD1OPRK1KMT2A
Hydrochloric Acid SCHEMBL10506948 0.83 CYP1A2 (0.52) OPRD1OPRK1KMT2A
SCHEMBL6254753 0.83 OPRD1 (0.46) LPOOPRD1OPRK1MAPTTP53
Hydrochloric Acid SCHEMBL10584235 0.82 CYP1A2 (0.51) OPRD1OPRK1KMT2A
SCHEMBL418384 0.80 RAB9A (0.57) OPRD1OPRK1ALDH1A1GAAPKM
SCHEMBL5053570 0.80 KDM4E (0.53) MAPTTP53LMNAALDH1A1SIGMAR1
SCHEMBL5053593 0.80 RAB9A (0.52) OPRD1OPRK1ALDH1A1
SCHEMBL3981411 0.79 MEN1 (0.47) LPOOPRD1OPRK1MAPTTP53
SCHEMBL10593221 0.79 LPO (0.58) LPOOPRD1OPRK1MAPTTP53
SCHEMBL6801299 0.77 RAB9A (0.49) KMT2ASIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US claimed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO claimed
US-7358268-B2 Imidazole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
US-20040171604-A1 Imidazole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 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-20040171604-A1 Imidazole derivatives as factor Xa inhibitors TFPI, F11, TFPI2 LPO 2458/4885OPRD1 3138/4885OPRK1 3667/4885

“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.