SCHEMBL21132809

SCHEMBL21132809

C=N/C=C\C=C(/C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 9/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
BDKRB1 P46663 3/20 0.41
IDH2 P48735 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL21324571 0.79 PKM (0.55) KMT2AGAANAMPTALDH1A1MEN1
SCHEMBL21325278 0.77 NAMPT (0.53) KMT2ANAMPTALDH1A1MEN1LMNA
SCHEMBL21324855 0.76 GHSR (0.42) KMT2ANAMPTALDH1A1MEN1LMNA
SCHEMBL21324818 0.75 NAMPT (0.38) KMT2AGAANAMPTALDH1A1KDM4E
SCHEMBL21132534 0.74 NAMPT (0.59) NAMPTLMNA
SCHEMBL21132533 0.73 NAMPT (0.55) NAMPT
SCHEMBL21132795 0.70 NAMPT (0.55) NAMPTLMNACA12CA1CA2
SCHEMBL29635632 0.70 NAMPT (0.77) NAMPT
SCHEMBL165412 0.70 NAMPT (0.77) NAMPT
SCHEMBL21132523 0.70 NAMPT (0.53) NAMPT

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-10329275-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-06-25 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-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885GAA 868/4885NAMPT 1/4885

“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.