SCHEMBL25580256

SCHEMBL25580256

NOCc1ccc(O)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.54
AGXT P21549 7/20 0.52
CYP3A4 P08684 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL8988644 0.81 IDO1 (0.60) IDO1CYP3A4CA1CA2
SCHEMBL10102079 0.81 IDO1 (0.58) IDO1AGXTCYP3A4
SCHEMBL13318420 0.80 TAAR1 (0.42) CYP3A4
Hydrochloric Acid SCHEMBL9567644 0.79 IDO1 (0.61) IDO1AGXTCYP3A4CA1CA2
Hydrochloric Acid SCHEMBL662808 0.79 IDO1 (0.59) IDO1AGXTCYP3A4
SCHEMBL14802026 0.77 TAAR1 (0.48) CYP3A4
SCHEMBL30081509 0.77 TAAR1 (0.48) CYP3A4
SCHEMBL1338001 0.76 KDM4E (0.52) CYP3A4
SCHEMBL30058625 0.76 CA1 (0.61) CYP3A4CA1CA2
SCHEMBL545298 0.76 CA1 (0.61) CYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-08 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-20230174460-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PARK7, SNCA, RHOT2 IDO1 2040/4885AGXT 1004/4885CYP3A4 2419/4885

“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.