SCHEMBL693665

SCHEMBL693665

[c]1ccccc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
IDO1 P14902 3/20 0.42
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FABP1 P07148 1/20 0.41
FABP6 P51161 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8060763 0.85 KCNH3 (0.44) KDM4EHPGDKMT2AMEN1MAPT
SCHEMBL8065424 0.85 KDM4E (0.47) KDM4EHPGDKMT2AMEN1MAPT
SCHEMBL2115357 0.85 HTT (0.50) HSD17B10KDM4EHPGDHTTKMT2A
SCHEMBL5846724 0.82 MAOB (0.46) BACE1CYP3A4
SCHEMBL8063033 0.81 APP (0.48) KMT2AMEN1MAPTAPP
SCHEMBL7092633 0.81 ALDH1A1 (0.33) HSD17B10BACE1KDM4EKMT2ATHRB
SCHEMBL7228990 0.81 HTT (0.50) HTTKMT2AMEN1MAPTPOLB
SCHEMBL2454621 0.80 L3MBTL1 (0.52) TSHRHTTCA12CA2IDO1
SCHEMBL12473735 0.78 HDAC8 (0.48) TDP1
SCHEMBL5215530 0.78 NOS1 (0.39) TSHRHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3259256-A1 COMPOUNDS AND METHODS FOR INDUCING BROWNING OF WHITE ADIPOSE TISSUE Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences (CN) 2017-12-27 EP claimed
WO-2016131192-A1 COMPOUNDS AND METHODS FOR INDUCING BROWNING OF WHITE ADIPOSE TISSUE GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-08-25 WO claimed
CN-102459166-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-03-25 CN claimed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US claimed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP claimed
US-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-08-28 US claimed
US-8445477-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-21 US claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
EP-2421823-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
EP-1542686-A2 ARYL SUBSTITUTED HYDANTOIN COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-06-22 EP claimed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US claimed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-05-20 US claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
WO-2004010950-A2 ARYL SUBSTITUTED HYDANTOIN COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP claimed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140243305-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HSD17B10 179/4885BACE1 1751/4885KDM4E 1931/4885
US-20040097569-A1 Aryl substituted hydantoin compounds and their use as sodium channel blockers SCN1A, CACNA1S, SCN1B HSD17B10 1607/4885BACE1 988/4885KDM4E 3550/4885
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A HSD17B10 2041/4885BACE1 957/4885KDM4E 2526/4885

“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.