SCHEMBL164852

SCHEMBL164852

O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)Nc1ccc2ncccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 1.00
NPC1 O15118 5/20 0.72
POLB P06746 3/20 0.72
MAPT P10636 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
PABPC1 P11940 1/20 0.61
CYP2C9 P11712 3/20 0.55
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.51
BCAT1 P54687 1/20 0.51

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
SCHEMBL5658310 0.88 NPC1 (0.88) NAMPTNPC1POLBMAPTMEN1
SCHEMBL164368 0.88 NAMPT (1.00) NAMPTNPC1POLBMAPTMEN1
SCHEMBL651929 0.85 NPC1 (1.00) NAMPTNPC1POLBMAPTMEN1
SCHEMBL31054249 0.85 NPC1 (1.00) NAMPTNPC1POLBMAPTMEN1
SCHEMBL5661569 0.84 NPC1 (0.81) NAMPTNPC1POLBMAPTMEN1
SCHEMBL19476154 0.84 NAMPT (0.71) NAMPTNPC1POLBMAPTMEN1
SCHEMBL5655823 0.83 NPC1 (0.88) NAMPTNPC1POLBMAPTMEN1
SCHEMBL5656486 0.81 NPC1 (0.74) NAMPTNPC1POLBMAPTMEN1
SCHEMBL5657895 0.79 NPC1 (0.74) NAMPTNPC1POLBMAPTMEN1
SCHEMBL165065 0.78 NAMPT (1.00) NAMPTCYP2C9

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 25 patents — showing the first 20. 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 claimed
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2020-09-10 US claimed
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2019-09-05 US claimed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US claimed
CN-103270023-A 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer FORMA THERAPEUTICS INC 2013-08-28 CN claimed
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 claimed
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 claimed
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 claimed
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-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-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-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US disclosed
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO EARLY DISCOVERY, INC. 2013-10-17 US 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 (5 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 NAMPT 1/4885NPC1 842/4885POLB 1958/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 NAMPT 1/4885NPC1 459/4885POLB 3242/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 NAMPT 1/4885NPC1 842/4885POLB 1958/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 NAMPT 1/4885NPC1 459/4885POLB 3242/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 NAMPT 1/4885NPC1 123/4885POLB 2930/4885

“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.