SCHEMBL160410

SCHEMBL160410

NCc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
HSD11B1 P28845 1/20 0.51
HTR6 P50406 2/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
NAMPT P43490 4/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PSIP1 O75475 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
Trifluoroacetic Acid SCHEMBL15367422 0.87 HSD11B1 (0.54) PNMTTAAR1HSD11B1HTR6CA1
SCHEMBL10974178 0.87 HSD11B1 (0.61) HSD11B1HTR6NAMPTMAPTALDH1A1
SCHEMBL29408747 0.83 ALDH1A1 (0.67) HSD11B1MAPTALDH1A1MEN1KMT2A
SCHEMBL2035375 0.83 ALDH1A1 (0.67) HSD11B1MAPTALDH1A1MEN1KMT2A
SCHEMBL31435391 0.83 AKR1B1 (0.56) HSD11B1HTR6ALDH1A1MEN1KMT2A
SCHEMBL2199161 0.83 AKR1B1 (0.56) HSD11B1HTR6ALDH1A1MEN1KMT2A
SCHEMBL8866046 0.82 MEN1 (0.66) HSD11B1HTR6ALDH1A1MEN1KMT2A
SCHEMBL158288 0.81 HTR6 (0.71) TAAR1HTR6CA1CA2CA12
SCHEMBL3834491 0.81 HTR6 (0.61) HSD11B1HTR6ALDH1A1MEN1KMT2A
SCHEMBL6680428 0.81 CA1 (0.70) HTR6CA1CA2CA12CA4

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 9 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-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
US-9676721-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2017-06-13 US disclosed
EP-2611778-B1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM LLC (US) 2015-08-05 EP disclosed
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2013-11-07 US disclosed
US-20130295051-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2013-11-07 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 PNMT 193/4885TAAR1 2740/4885HSD11B1 2589/4885

“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.