SCHEMBL22419501

SCHEMBL22419501

O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(OCC(F)(F)F)c2)cc1)c1ccc2ccncc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 17/20 0.64
▸ CYP2C9 P11712 2/20 0.53
▸ HDAC3 O15379 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ AKT1 P31749 1/20 0.45

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
SCHEMBL22419538 0.88 NAMPT (0.63) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL21524157 0.88 NAMPT (0.79) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL20953203 0.86 NAMPT (0.65) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL16107708 0.84 NAMPT (0.77) NAMPTCYP2C9
SCHEMBL168775 0.84 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL15530934 0.84 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL12467922 0.82 NAMPT (0.78) NAMPTCYP2C9
SCHEMBL22419555 0.81 NAMPT (0.74) NAMPTCYP2C9HDAC3HDAC1HDAC2
SCHEMBL22419530 0.80 NAMPT (0.73) NAMPTCYP2C9
SCHEMBL20953292 0.79 NAMPT (0.77) NAMPTCYP2C9HDAC3HDAC1HDAC2

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-10772874-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. 2020-09-15 — — 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-10772874-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NAMPT 1/4885CYP2C9 725/4885HDAC3 89/4885

“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.

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