SCHEMBL30167739

SCHEMBL30167739

O=C(NCc1ccc(S(=O)(=O)c2cncc(N3CCCC3)c2)cc1)c1cnc2[nH]ncc2c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 0.73
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59

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
SCHEMBL12468017 1.00 NAMPT (0.73) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12466987 0.89 NAMPT (0.74) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16108594 0.89 NAMPT (0.73) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL12467029 0.85 NAMPT (0.84) NAMPT
SCHEMBL16108010 0.85 NAMPT (0.69) NAMPT
SCHEMBL12467889 0.84 NAMPT (0.83) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16108094 0.84 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL13741179 0.83 NAMPT (0.73) NAMPT
SCHEMBL16108475 0.83 NAMPT (0.82) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16108368 0.82 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19

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-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 — — US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 — — 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 (2 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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT NAMPT 1/4885CYP3A4 1187/4885CYP2C9 772/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NAMPT 1/4885CYP3A4 1137/4885CYP2C9 725/4885

“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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