SCHEMBL21524233

SCHEMBL21524233

O=C(NCc1ccc(S(=O)(=O)c2cccc(N3CCCC3)c2)cc1)c1ccc2ccc(O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.53
▸ DRD2 P14416 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL20953205 0.85 NAMPT (0.73) NAMPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL16107643 0.83 SRC (0.57) NAMPTCYP2C9
SCHEMBL16108640 0.82 SRC (0.56) NAMPTALDH1A1CYP2C9
SCHEMBL20953160 0.80 NAMPT (0.69) NAMPTHDAC1CYP2C9
SCHEMBL12466987 0.79 NAMPT (0.74) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL20953277 0.78 NAMPT (0.49) NAMPTALDH1A1KLKB1HDAC1
SCHEMBL12466867 0.78 NAMPT (0.69) NAMPTALDH1A1
SCHEMBL16108594 0.78 NAMPT (0.73) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL21524095 0.78 NAMPT (0.46) NAMPTALDH1A1KLKB1HDAC3HDAC4
SCHEMBL21524094 0.78 NAMPT (0.48) NAMPTALDH1A1KLKB1HDAC1

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-10456382-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-10-29 — — 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-10456382-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 NAMPT 1/4885DRD2 2671/4885ADRA1A 2411/4885

“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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