SCHEMBL166487

SCHEMBL166487

S=C(NCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
LMNA P02545 5/20 1.00
ALDH1A1 P00352 5/20 1.00
HTT P42858 3/20 1.00
KDM4E B2RXH2 1/20 1.00
MAPK1 P28482 2/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
KMT2A Q03164 3/20 0.76
GAA P10253 2/20 0.76
POLB P06746 2/20 0.76
MEN1 O00255 2/20 0.76
CRHBP P24387 1/20 0.76
CRHR2 Q13324 1/20 0.76
NAMPT P43490 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.62
HPGD P15428 2/20 0.61

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
SCHEMBL16566454 0.88 MAPT (0.78) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL11643369 0.88 POLB (0.86) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL8609670 0.85 GAA (0.97) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL28111895 0.85 NAMPT (1.00) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6814863 0.82 POLB (0.76) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL11716726 0.81 NPC1 (0.73) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL6833672 0.80 LTA4H (0.73) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL11649434 0.79 POLB (0.70) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL22069595 0.78 RECQL (0.77) MAPTLMNAALDH1A1HTTKDM4E
SCHEMBL3484442 0.78 KMT2A (0.82) MAPTLMNAALDH1A1HTTKDM4E

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 14 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
CN-106986856-A It is used as 4 { [(ylmethyl of pyridine 3) amino carbonyl] amino } Benzosulfone derivatives of the NAMPT inhibitor for treating diseases such as cancer 福马TM有限责任公司 2017-07-28 CN disclosed
CN-103270023-B 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer 福马TM有限责任公司 2016-11-02 CN 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
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 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 MAPT 694/4885LMNA 419/4885ALDH1A1 511/4885
US-20200283403-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885LMNA 984/4885ALDH1A1 660/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 MAPT 694/4885LMNA 419/4885ALDH1A1 511/4885
US-20180291000-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885LMNA 984/4885ALDH1A1 660/4885
US-10329275-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 MAPT 694/4885LMNA 419/4885ALDH1A1 511/4885
US-20190270721-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, HAMP, NQO1 MAPT 1345/4885LMNA 984/4885ALDH1A1 660/4885
US-20130273034-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 MAPT 519/4885LMNA 1579/4885ALDH1A1 1273/4885

“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.