SCHEMBL6029175

SCHEMBL6029175

O=C(OCc1ccccc1)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.67
SLC6A3 Q01959 2/20 0.67
KMT2A Q03164 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 2/20 0.66
NR4A1 P22736 1/20 0.66
NR4A2 P43354 1/20 0.66
NR4A3 Q92570 1/20 0.66
MAOB P27338 1/20 0.62
PARP10 Q53GL7 1/20 0.62
SRD5A2 P31213 1/20 0.60
PLA2G4B P0C869 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
FFAR1 O14842 2/20 0.56
MCL1 Q07820 1/20 0.56

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
SCHEMBL50807 0.95 KMT2A (0.73) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL9574756 0.94 KMT2A (0.71) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL5836718 0.91 SLC6A2 (0.67) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL1944115 0.90 KMT2A (0.77) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL9537786 0.90 KMT2A (0.81) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL4815672 0.90 KMT2A (0.61) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL9574665 0.89 PTPRC (0.66) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL9537746 0.89 KMT2A (0.79) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL51012 0.87 KMT2A (0.71) SLC6A2SLC6A3KMT2ATDP1LMNA
SCHEMBL11035112 0.87 NR4A2 (0.68) SLC6A2SLC6A3KMT2ATDP1LMNA

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
US-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
EP-1594846-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS Bayer HealthCare AG (DE) 2005-11-16 EP disclosed
EP-0979227-B1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA PHARMACEUTICAL (JP) 2005-11-16 EP disclosed
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 WO disclosed
US-6352982-B1 TREATING DIABETES, OBESITY, OR INVETERATE DIARRHEA IN A MAMMAL WHICH COMPRISES ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-05 US disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 SLC6A2 2550/4885SLC6A3 3174/4885KMT2A 1842/4885

“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.