SCHEMBL29635888

SCHEMBL29635888

O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.75
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.63

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
SCHEMBL164401 1.00 NAMPT (0.75) NAMPTKDM4EALDH1A1MAPTCYP2C9
SCHEMBL167351 0.89 NAMPT (0.76) NAMPTCYP2C9
SCHEMBL29635749 0.89 NAMPT (0.76) NAMPTCYP2C9
SCHEMBL29635734 0.88 NAMPT (0.77) NAMPTCYP2C9
SCHEMBL12503697 0.88 NAMPT (0.77) NAMPTCYP2C9
SCHEMBL164152 0.87 NAMPT (0.80) NAMPTCYP2C9
SCHEMBL29635667 0.87 NAMPT (0.80) NAMPTCYP2C9
SCHEMBL162753 0.86 NAMPT (0.77) NAMPTCYP2C9
SCHEMBL164533 0.86 NAMPT (1.00) NAMPTCYP2C9
SCHEMBL165348 0.85 NAMPT (0.70) NAMPTCYP2C9

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-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 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-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 NAMPT 1/4885KDM4E 813/4885ALDH1A1 511/4885

“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.