SCHEMBL1002646

SCHEMBL1002646

NN(CC=O)c1ccc(I)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.35
CYP3A4 P08684 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL7612448 0.78 ALDH1A1 (0.34) CYP3A4
SCHEMBL27817285 0.71 APP (0.39) APP
SCHEMBL5498507 0.64 ALDH1A1 (0.47)
SCHEMBL1932991 0.62 CYP3A4 (0.42) APPCYP3A4IDO1
SCHEMBL2099516 0.62 APP (0.48) APP
SCHEMBL12893293 0.61 ALDH1A1 (0.54) APP
SCHEMBL6477818 0.61 TPMT (0.39) APP
SCHEMBL12893268 0.61 ALDH1A1 (0.54) APP
SCHEMBL7068355 0.61 CHKA (0.43) APP
SCHEMBL985323 0.60 APP (0.44) APPCYP3A4IDO1

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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF F2, VKORC1, HMBS APP 2059/4885CYP3A4 39/4885IDO1 1147/4885

“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.