SCHEMBL174174

SCHEMBL174174

N=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
CYP2C9 P11712 1/20 0.52
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CXCR4 P61073 1/20 0.45
FBP1 P09467 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL21780200 0.79 KDM4E (0.46) NPC1KDM4EGAALMNASMN1; SMN2
SCHEMBL1273847 0.78 ALDH1A1 (0.60) CYP2C9KMT2AGAALMNACA12
SCHEMBL9503197 0.77 CA2 (0.57) KEAP1KMT2AKDM4ELMNACA12
Sulfuric Acid SCHEMBL10702874 0.75 KMT2A (0.45) CYP2C9KMT2AKDM4EGAALMNA
SCHEMBL3071671 0.74 ALDH1A1 (0.56) KMT2AGAALMNASMN1; SMN2CA12
SCHEMBL14058721 0.72 CA2 (0.47) KEAP1KMT2AKDM4EHTTLMNA
SCHEMBL1360716 0.72 THRB (0.54) KMT2AGAALMNACA12CA9
SCHEMBL407414 0.72 KEAP1 (1.00) KEAP1KDM4EHTTLMNASMN1; SMN2
SCHEMBL595420 0.72 CYP2C9 (0.69) CYP2C9KMT2ALMNASMN1; SMN2CA12
SCHEMBL5186630 0.72 ALDH1A1 (0.75) CYP2C9KMT2AGAALMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2013-11-07 US disclosed
EP-2611778-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO 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-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KEAP1 391/4885CYP2C9 2114/4885KMT2A 1563/4885

“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.