SCHEMBL16286368

SCHEMBL16286368

N#CN=C(N)N(CCCNS(=O)(=O)c1ccccc1-c1ccccc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 12/20 0.39
ALOX5AP P20292 11/20 0.39
CCR1 P32246 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
MELK Q14680 2/20 0.33
MAPK1 P28482 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
NAMPT P43490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL16286433 0.80 NAMPT (0.38) FEN1ALOX5APNAMPTALDH1A1
SCHEMBL16311255 0.76 NAMPT (0.43) FEN1ALOX5APCCR1NAMPTALDH1A1
SCHEMBL809997 0.73 PLG (0.33)
SCHEMBL810674 0.73 PLG (0.33)
SCHEMBL16286300 0.70 NAMPT (0.55) NAMPT
SCHEMBL16286301 0.70 NAMPT (0.55) NAMPT
SCHEMBL16286261 0.69 NAMPT (0.54) NAMPT
SCHEMBL16286260 0.69 NAMPT (0.54) NAMPT
SCHEMBL15924985 0.69 FEN1 (0.55) FEN1ALOX5APCCR1KDM4EALDH1A1
SCHEMBL13277280 0.69 POLB (0.31)

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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS NAMPT, NAPRT, NNT FEN1 1122/4885ALOX5AP 1705/4885CCR1 3232/4885

“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.