SCHEMBL9938733

SCHEMBL9938733

NCc1ccc(F)cc1OBOc1cc(F)ccc1CN

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.40
AGXT P21549 2/20 0.40
MPO P05164 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.35
SLC6A4 P31645 7/20 0.35
HTR2A P28223 4/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A3 Q01959 4/20 0.34
MAPK14 Q16539 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL9938061 0.85 MPO (0.40) IDO1AGXTMPOLOXL2SLC6A4
SCHEMBL2425944 0.78 GAA (0.46) SLC6A4HTR2ASLC6A2SLC6A3HTR2C
Hydrochloric Acid SCHEMBL2526731 0.77 SLC6A2 (0.44) IDO1AGXTSLC6A4HTR2ASLC6A2
SCHEMBL3711714 0.76 IDO1 (0.42) IDO1AGXTMPOLOXL2SLC6A4
SCHEMBL9939458 0.75 PNMT (0.43) IDO1LOXL2TAAR1
SCHEMBL16634552 0.74 ALDH1A1 (0.48) IDO1AGXTSLC6A4SLC6A2SLC6A3
SCHEMBL3288376 0.73 MAPT (0.46) IDO1AGXTMPO
SCHEMBL15819560 0.73 HTR1A (0.43) IDO1AGXTMPOSLC6A4HTR2A
SCHEMBL27726752 0.73 IDO1 (0.37) IDO1AGXTMPOSLC6A4HTR2A
SCHEMBL1398079 0.73 ALDH1A1 (0.46) IDO1AGXTMPOLOXL2SLC6A4

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 IDO1 2449/4885AGXT 3429/4885MPO 2336/4885

“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.