SCHEMBL7611596

SCHEMBL7611596

O=C(NCc1ccc(NC(=O)c2ccncn2)cc1)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
GRK2 P25098 1/20 0.49
MTTP P55157 6/20 0.49
APOB P04114 2/20 0.49
KDM1A O60341 1/20 0.49
HDAC1 Q13547 1/20 0.49
KDR P35968 3/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
KIT P10721 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
SMO Q99835 1/20 0.48
PPARG P37231 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL7605521 0.92 RXFP1 (0.55) ROCK2GRK2MTTPAPOBKDM1A
SCHEMBL7606603 0.91 CES1 (0.55) ROCK2GRK2MTTPAPOBKDM1A
SCHEMBL7613634 0.90 ROCK2 (0.56) ROCK2GRK2MTTPAPOBKDM1A
SCHEMBL7608096 0.90 ROCK2 (0.50) ROCK2GRK2MTTPAPOBKDM1A
SCHEMBL7613600 0.88 MTTP (0.58) MTTPAPOBPPARGRXFP1EPHX2
SCHEMBL7607440 0.88 MTTP (0.57) MTTPAPOBKDM1AHDAC1PPARG
SCHEMBL7607886 0.87 EPHX2 (0.58) ROCK2GRK2MTTPAPOBKDM1A
SCHEMBL7607269 0.86 EPHX2 (0.57) MTTPAPOBPPARGEPHX2NAMPT
SCHEMBL6788420 0.86 MTTP (0.57) ROCK2MTTPAPOBKDM1AHDAC1
SCHEMBL7650666 0.86 MTTP (0.49) ROCK2GRK2MTTPAPOBKDM1A

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 ROCK2 4734/4885GRK2 3440/4885MTTP 1/4885

“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.