SCHEMBL1318756

SCHEMBL1318756

O=C(NCc1cccc(-c2ccc(C(=O)O)o2)c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.55
EPHX2 P34913 2/20 0.55
CFD P00746 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
PPARG P37231 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MMP13 P45452 2/20 0.49
RPA1 P27694 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15428849 0.90 MMP13 (0.54) NR1H4EPHX2NR4A1NR4A2NR4A3
SCHEMBL15428857 0.89 CHRM3 (0.54) NR1H4EPHX2CFDNR4A1NR4A2
SCHEMBL15428870 0.88 KMT2A (0.67) NR1H4EPHX2ALDH1A1SMN1; SMN2MMP13
SCHEMBL15428860 0.87 KDM4E (0.53) NR1H4EPHX2NR4A1NR4A2NR4A3
SCHEMBL15428862 0.87 CHRM3 (0.57) NR1H4EPHX2NR4A1NR4A2NR4A3
SCHEMBL15428864 0.87 MMP13 (0.65) ALDH1A1HPGDLMNAMMP13KMT2A
SCHEMBL15428868 0.87 SMN1; SMN2 (0.53) NR1H4EPHX2NR4A1NR4A2NR4A3
SCHEMBL15428881 0.86 PPARG (0.49) NR1H4EPHX2CFDNR4A1NR4A2
SCHEMBL15428855 0.86 CHRM3 (0.57) NR1H4EPHX2CFDNR4A1NR4A2
SCHEMBL15428872 0.86 CHRM3 (0.56) NR4A1NR4A2NR4A3ALDH1A1HPGD

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
EP-2346831-B1 HETEROARYL DIAMIDE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8637550-B2 Heteroaryl diamide compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 US disclosed
US-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275625-A1 Heteroaryl Diamide Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 NR1H4 3843/4885EPHX2 1469/4885CFD 1659/4885

“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.