SCHEMBL10167010

SCHEMBL10167010

Nc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.42
CHRM3 P20309 4/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RORC P51449 3/20 0.38
RORB Q92753 1/20 0.38
ADORA2B P29275 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSK P43235 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
FABP7 O15540 1/20 0.37

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
SCHEMBL543987 0.89 ALDH1A1 (0.51) EPHX2KMT2ALMNANPSR1ADORA3
SCHEMBL544511 0.85 EPHX2 (0.46) EPHX2KMT2ALMNANPSR1ADORA3
SCHEMBL10206293 0.75 ABL1 (0.58) KMT2ALMNAALDH1A1CYP1A2CYP2C9
SCHEMBL20526645 0.71 MDM4 (0.47) EPHX2MDM4TP53
SCHEMBL20526644 0.71 MDM4 (0.47) EPHX2MDM4TP53
SCHEMBL23813569 0.71 EPHX2 (0.45) EPHX2KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL31109905 0.71 EPHX2 (0.45) EPHX2KMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL544015 0.70 ALDH1A1 (0.77) KMT2ALMNANPSR1ADORA3ALDH1A1
SCHEMBL9072517 0.70 EPHX2 (0.48) EPHX2KMT2ALMNANPSR1ADORA3
SCHEMBL23291061 0.69 EPHX2 (0.43) EPHX2KMT2ACHRM3ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (2 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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 EPHX2 4157/4885KMT2A 3374/4885CHRM3 4668/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 EPHX2 4157/4885KMT2A 3374/4885CHRM3 4668/4885

“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.