SCHEMBL7606673

SCHEMBL7606673

Nc1cccc(C(=O)NCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.68
NR1H4 Q96RI1 2/20 0.68
CFD P00746 1/20 0.63
HDAC1 Q13547 3/20 0.62
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
EGFR P00533 2/20 0.57
TRPV1 Q8NER1 1/20 0.57
MMP13 P45452 1/20 0.56
NPC1 O15118 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
SCHEMBL8395188 0.91 HDAC6 (0.69) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL7610793 0.89 CA1 (0.56) EPHX2NR1H4CFDHDAC1CA1
SCHEMBL3995970 0.86 EGFR (0.64) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL7607244 0.85 PTGS1 (0.60) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL27659355 0.84 CFD (0.82) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL4981515 0.84 EPHX2 (0.77) EPHX2NR1H4HDAC1HDAC2HDAC8
SCHEMBL5099637 0.83 KLKB1 (0.67) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL26519908 0.83 EPHX2 (0.47) EPHX2NR1H4CFDHDAC1HDAC2
SCHEMBL7617147 0.82 EPHX2 (0.58) EPHX2NR1H4HDAC1HDAC2HDAC8
SCHEMBL4161846 0.82 HDAC6 (0.60) NR1H4CFDHDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 EPHX2 1348/4885NR1H4 99/4885CFD 4027/4885

“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.