SCHEMBL17325871

SCHEMBL17325871

N#C/N=C(\NCc1ccccn1)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
PRNP P04156 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL17325869 0.86 NAMPT (0.56) NAMPT
SCHEMBL16311248 0.85 NAMPT (0.52) NAMPT
SCHEMBL14324390 0.83 LMNA (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17325969 0.83 NAMPT (0.54) CYP2C9HTTKMT2ANAMPT
SCHEMBL17322579 0.81 NAMPT (0.42) NAMPT
SCHEMBL17322580 0.81 NAMPT (0.46) ALDH1A1NAMPT
SCHEMBL12334649 0.81 NAMPT (0.40) NAMPT
SCHEMBL17322583 0.81 NAMPT (0.40) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17322581 0.79 NAMPT (0.42) NAMPT
SCHEMBL16311250 0.76 NAMPT (0.43) NAMPT

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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 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 (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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CYP1A2 3487/4885CYP3A4 3993/4885CYP2D6 4150/4885

“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.