SCHEMBL9938608

SCHEMBL9938608

NCc1cccc(F)c1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
MAOB P27338 2/20 0.39
PNMT P11086 2/20 0.38
F11 P03951 1/20 0.36
MPO P05164 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2A P28223 1/20 0.36
IDO1 P14902 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL16687397 0.82 IDO1 (0.36) TAAR1MAOBMPOSLC6A4IDO1
SCHEMBL29953243 0.82 IDO1 (0.36) TAAR1MAOBMPOSLC6A4IDO1
SCHEMBL24474343 0.78 TAAR1 (0.36) TAAR1MPOSLC6A4HTR2AIDO1
SCHEMBL146988 0.78 CES2 (0.42)
SCHEMBL28521385 0.76 LIPG (0.33) TAAR1MPO
SCHEMBL23685407 0.76 GABRA1 (0.46)
SCHEMBL9939108 0.73 LIPG (0.40) TAAR1PNMTF11LOXL2
SCHEMBL214409 0.73 TAAR1 (0.52) TAAR1MAOBPNMTMPOSLC6A4
SCHEMBL28513719 0.73 IDO1 (0.34) MAOBIDO1
SCHEMBL14689847 0.72 TAAR1 (0.46) TAAR1MAOBPNMTIDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TAAR1 4440/4885MAOB 2923/4885PNMT 3668/4885

“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.