SCHEMBL6030735

SCHEMBL6030735

O=C(O)c1ccc(-c2ccc(OCc3ccccc3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.62
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
SRD5A2 P31213 2/20 0.54
HDAC1 Q13547 1/20 0.53
PLA2G4B P0C869 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
CXCR2 P25025 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
ALKBH1 Q13686 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
PTGES O14684 1/20 0.48

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
SCHEMBL7230242 0.88 MAPT (0.56) MAP4K4NR4A1NR4A2NR4A3MRGPRX4
SCHEMBL1221922 0.88 MAPT (0.63) NR4A1NR4A2NR4A3SRD5A2PLA2G4B
SCHEMBL6030328 0.86 GABRA5 (0.53) MAP4K4HDAC1CXCR2MAPTMEN1
SCHEMBL3759614 0.83 NR4A2 (0.63) NR4A1NR4A2NR4A3SRD5A2PLA2G4B
Nitrous Acid SCHEMBL27888273 0.82 MAPT (0.56) MAP4K4NR4A1NR4A2NR4A3SRD5A2
SCHEMBL25214957 0.81 NR4A1 (0.52) MAP4K4NR4A1NR4A2NR4A3SRD5A2
SCHEMBL31108999 0.81 NR4A1 (0.52) MAP4K4NR4A1NR4A2NR4A3SRD5A2
SCHEMBL29788015 0.80 MAPT (0.76) SRD5A2PLA2G4BRXRARXRBMAPT
SCHEMBL2039201 0.80 MAPT (0.76) SRD5A2PLA2G4BRXRARXRBMAPT
SCHEMBL7094039 0.80 NR4A2 (0.72) MAP4K4NR4A1NR4A2NR4A3SRD5A2

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 3 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
WO-2004069805-A1 BIS(HETERO)ARYL CARBOXAMIDE DERIVATIVES FOR USE AS PGI2 ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-08-19 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-20060247260-A1 Bis (hetero) aryl carboxamide derivatives for use as PG12 antagonists HRH2, BPHL, HRH1 MAP4K4 2472/4885NR4A1 2600/4885NR4A2 1675/4885

“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.