SCHEMBL10102079

SCHEMBL10102079

NOCc1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 18/20 0.58
AGXT P21549 10/20 0.58
CYP3A4 P08684 3/20 0.50

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
Hydrochloric Acid SCHEMBL662808 0.98 IDO1 (0.59) IDO1AGXTCYP3A4
SCHEMBL7889545 0.81 MAOB (0.47)
SCHEMBL25580256 0.81 IDO1 (0.54) IDO1AGXTCYP3A4
SCHEMBL1715798 0.81 IDO1 (0.52) IDO1AGXT
SCHEMBL1520817 0.81 IDO1 (0.68) IDO1AGXTCYP3A4
Hydrochloric Acid SCHEMBL1714972 0.79 IDO1 (0.53) IDO1AGXT
SCHEMBL4808098 0.79 MAOB (0.46)
SCHEMBL1716084 0.78 IDO1 (0.67) IDO1AGXT
SCHEMBL12509342 0.77 MAOB (0.49)
SCHEMBL4799836 0.77 MAOB (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 IDO1 2049/4885AGXT 2786/4885CYP3A4 500/4885

“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.