SCHEMBL22419450

SCHEMBL22419450

Cc1ccc(C)c(S(=O)(=O)c2ccc(CNC(=O)c3ccc4ccncc4c3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 9/20 0.70
▸ HDAC3 O15379 2/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56
▸ KCNJ1 P48048 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL22419527 0.92 NAMPT (0.70) NAMPTHDAC3HDAC1HDAC2KCNJ1
SCHEMBL22419482 0.91 NAMPT (0.74) NAMPTHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL22419484 0.89 NAMPT (0.78) NAMPTHDAC3HDAC1HDAC2MEN1
SCHEMBL22419489 0.86 NAMPT (0.72) NAMPTHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL20953230 0.85 NAMPT (0.73) NAMPTHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL20953281 0.85 NAMPT (0.73) NAMPTHDAC3HDAC1HDAC2CYP2C9
SCHEMBL21524191 0.84 NAMPT (0.76) NAMPTHDAC3HDAC1HDAC2CYP2C9
SCHEMBL20953233 0.84 NAMPT (0.69) NAMPTHDAC3HDAC1HDAC2CYP2C9
SCHEMBL21524211 0.83 NAMPT (0.66) NAMPTHDAC3HDAC1HDAC2MEN1
SCHEMBL30167830 0.83 NAMPT (1.00) NAMPTHDAC3HDAC1HDAC2CYP2C9

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 1/4885HDAC3 89/4885HDAC1 175/4885

“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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