SCHEMBL176010

SCHEMBL176010

O=[N+]([O-])c1ccc(S(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
CA2 P00918 3/20 0.47
CA5A P35218 2/20 0.47
LMNA P02545 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 2/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
AGTR1 P30556 1/20 0.45

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
SCHEMBL30990704 1.00 KMT2A (0.64) KMT2AGAAHTTCA2CA5A
SCHEMBL11841996 0.88 KMT2A (0.75) KMT2AGAAHTTCA2CA5A
SCHEMBL10341547 0.84 KMT2A (0.89) KMT2AGAAHTTCA2CA5A
SCHEMBL168176 0.82 CA2 (0.55) KMT2AGAAHTTCA2CA5A
SCHEMBL15239367 0.82 ALDH1A1 (0.51) KMT2AGAAHTTCA2LMNA
SCHEMBL31668877 0.82 LMNA (0.54) KMT2AGAAHTTLMNAALDH1A1
SCHEMBL31391247 0.82 LMNA (0.54) KMT2AGAAHTTLMNAALDH1A1
SCHEMBL3679487 0.82 LMNA (0.54) KMT2AGAAHTTLMNAALDH1A1
SCHEMBL11627050 0.81 KMT2A (0.53) KMT2AGAAHTTCA2CA5A
SCHEMBL10923408 0.80 KMT2A (0.64) KMT2AGAAHTTCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US disclosed
US-10647695-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2020-05-12 US disclosed
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-09-05 US disclosed
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2019-06-25 US disclosed
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2018-10-11 US disclosed
EP-2611777-B1 N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM LLC (US) 2016-05-11 EP disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
EP-2611777-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL]AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER Forma TM, LLC. (US) 2013-07-10 EP disclosed
WO-2012031196-A9 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA TM, LLC (US) 2013-06-13 WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER 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 (7 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-10647695-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885GAA 868/4885HTT 541/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885GAA 1035/4885HTT 1093/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885GAA 868/4885HTT 541/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885GAA 1035/4885HTT 1093/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KMT2A 659/4885GAA 868/4885HTT 541/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 KMT2A 1299/4885GAA 1035/4885HTT 1093/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 KMT2A 1615/4885GAA 624/4885HTT 614/4885

“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.