SCHEMBL161647

SCHEMBL161647

O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
IDO1 P14902 1/20 0.58
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 3/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
POLB P06746 1/20 0.51
HTT P42858 4/20 0.50
PDE7A Q13946 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TRPA1 O75762 1/20 0.48
LMNA P02545 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL3328543 0.89 MAPT (0.79) MAPTMEN1KMT2ACYP2C9CYP2C19
SCHEMBL4163474 0.89 MAPT (0.79) MAPTMEN1KMT2ACYP2C9CYP2C19
Fluoride SCHEMBL29135589 0.87 MAPT (0.76) MAPTMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8934649 0.87 MAPT (0.76) MAPTMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8934655 0.87 MAPT (0.76) MAPTMEN1KMT2ACYP2C9CYP2C19
SCHEMBL29242 0.87 CYP1A2 (0.67) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL2724772 0.87 CYP1A2 (0.67) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL11320631 0.87 CYP1A2 (0.67) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL28180410 0.87 CYP1A2 (0.67) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL10506577 0.84 CYP1A2 (0.64) MAPTMEN1KMT2ACYP1A2CYP2C9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61151162-A None JP disclosed
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
US-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2007-08-30 US disclosed
EP-1780202-A1 QUINOLINE DERIVATIVE AND INSECTICIDE CONTAINING SAME AS ACTIVE CONSTITUENT MEIJI SEIKA KAISHA LTD. (JP) 2007-05-02 EP disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO disclosed
EP-0102476-B1 METHOD OF MODULATING THE IMMUNE RESPONSE SYSTEM IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1986-11-05 EP disclosed
JP-S61151162-A 2-OR 4-CHLORO-3,4'-DINITRODIPHENYL SULFONE AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1986-07-09 JP disclosed
US-4532349-A 2-Amino-4'(phenylsulfonyl) acetanilides AMERICAN CYANAMID COMPANY (US) 1985-07-30 US disclosed
EP-0102476-A1 Method of modulating the immune response system in mammals AMERICAN CYANAMID COMPANY (US) 1984-03-14 EP disclosed
US-4277398-A ORANGE-COLORED, COUNTERACTING UNWANTED ABSORPTION OF MAGENTA DYES IN COLOR PHOTOGRAPHY CIBA-GEIGY AG (CH) 1981-07-07 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 (9 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 MAPT 694/4885MEN1 438/4885KMT2A 659/4885
US-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 MAPT 450/4885MEN1 1713/4885KMT2A 650/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885MEN1 468/4885KMT2A 1299/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 MAPT 694/4885MEN1 438/4885KMT2A 659/4885
US-20070203181-A1 Quinoline Derivatives And Insecticide Comprising Thereof As Active Ingredient DDT, ACHE, NQO1 MAPT 3554/4885MEN1 2940/4885KMT2A 974/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885MEN1 468/4885KMT2A 1299/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 MAPT 694/4885MEN1 438/4885KMT2A 659/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885MEN1 468/4885KMT2A 1299/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885MEN1 582/4885KMT2A 1615/4885

“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.