SCHEMBL6030587

SCHEMBL6030587

O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.59
MAOB P27338 2/20 0.58
MAOA P21397 1/20 0.58
ADAMTS4 O75173 1/20 0.57
MMP13 P45452 1/20 0.57
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
GPR34 Q9UPC5 5/20 0.53
PTPN1 P18031 1/20 0.52
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52

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
SCHEMBL5921827 0.90 GPR132 (0.63) GPR132MAOBMAOAITGB3ITGA2B
SCHEMBL5921821 0.90 GPR132 (0.63) GPR132MAOBMAOAITGB3ITGA2B
SCHEMBL6029880 0.85 GPR132 (0.73) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL6030433 0.85 GPR132 (0.65) GPR132KMT2AGPR34PTPN1CMKLR2
SCHEMBL5927205 0.84 GPR132 (0.72) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL1123243 0.84 GPR132 (0.72) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL1122833 0.84 GPR132 (0.72) GPR132ITGB3ITGA2BGPR34PTPN1
SCHEMBL6030407 0.84 GPR34 (0.70) GPR132MAOBMAOAGPR34PTPN1
SCHEMBL6030231 0.84 GPR34 (0.70) GPR132MAOBGPR34PTPN1CMKLR2
SCHEMBL6030436 0.84 GPR132 (0.63) GPR132ITGB3ITGA2BGPR34PTPN1

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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US claimed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP claimed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 WO claimed
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 GPR132 68/4885MAOB 2096/4885MAOA 1717/4885

“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.