SCHEMBL9939458

SCHEMBL9939458

NCc1ccccc1OBOc1ccccc1CN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.43
TAAR1 Q96RJ0 1/20 0.41
DPP4 P27487 3/20 0.40
HRH1 P35367 1/20 0.38
KDM4E B2RXH2 2/20 0.37
IDO1 P14902 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL6319190 0.78 HRH1 (0.52) PNMTTAAR1DPP4HRH1KDM4E
SCHEMBL3142208 0.77 IDO1 (0.43) TAAR1HRH1IDO1ALDH1A1GAA
SCHEMBL1581411 0.77 ALDH1A1 (0.33) TAAR1HRH1IDO1ALDH1A1GAA
SCHEMBL410908 0.77 L3MBTL1 (0.52) TAAR1KDM4EIDO1HPGDMAPT
SCHEMBL457980 0.77 APOBEC3G (0.41) TAAR1KDM4EIDO1HPGDALDH1A1
SCHEMBL30200411 0.76 PNMT (0.46) PNMTTAAR1DPP4HRH1KDM4E
SCHEMBL18683266 0.76 PNMT (0.46) PNMTTAAR1DPP4HRH1KDM4E
Water SCHEMBL5381049 0.76 APOBEC3G (0.40) TAAR1KDM4EIDO1HPGDALDH1A1
SCHEMBL9938733 0.75 IDO1 (0.40) TAAR1IDO1LOXL2
SCHEMBL9938061 0.75 MPO (0.40) IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 PNMT 3668/4885TAAR1 4440/4885DPP4 1034/4885

“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.