SCHEMBL16362002

SCHEMBL16362002

COc1cc(NC(=O)c2ccc(C#N)cc2)c(C(=O)Cc2ccc(Br)cn2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 4/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
DUSP3 P51452 1/20 0.39
KDR P35968 1/20 0.39
GPR35 Q9HC97 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL890704 0.84 RAB9A (0.53) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL10179154 0.72 F10 (0.50) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL890890 0.72 RAB9A (0.51) KMT2AMAPK1MEN1RXFP1MAPT
SCHEMBL890791 0.72 F10 (0.57) POLBKMT2AMEN1DEGS1
SCHEMBL890808 0.69 RAB9A (0.54) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL8714750 0.69 MLYCD (0.63) ALDH1A1HPGDPOLBKMT2AMEN1
SCHEMBL7247994 0.69 F10 (0.46) KDM4EPOLBKMT2AMEN1RXFP1
SCHEMBL890820 0.68 F10 (0.64) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL10178447 0.68 F10 (0.61)
SCHEMBL28581506 0.68 MAPT (0.54) KDM4EALDH1A1HPGDPOLBKMT2A

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-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 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-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 KDM4E 1933/4885ALDH1A1 2339/4885HPGD 1093/4885

“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.