SCHEMBL1120950

SCHEMBL1120950

CN(c1ccc(I)cc1)c1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
APP P05067 4/20 0.41
HDAC8 Q9BY41 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
GRIA1 P42261 1/20 0.33

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
SCHEMBL3385311 0.79 HDAC1 (0.47) HDAC1HDAC6MEN1KMT2ACYP1A2
SCHEMBL4886159 0.78 KMT2A (0.44) CES1APPHDAC1HDAC6MEN1
SCHEMBL8119143 0.78 ALDH1A1 (0.50) MEN1KMT2AMAOAMAOBCYP1A2
SCHEMBL20989804 0.78 APP (0.52) CES2CES1APPHDAC8CYP3A4
SCHEMBL1120958 0.75 MTNR1A (0.42) CES2CES1APPMEN1KMT2A
SCHEMBL16334900 0.75 CES1 (0.49) CES2CES1APPMEN1KMT2A
SCHEMBL8034298 0.74 CRHR1 (0.41) CES2CES1APPL3MBTL1
SCHEMBL1120983 0.74 CES2 (0.35) CES2CES1APPHDAC8KMT2A
SCHEMBL1120955 0.74 MAPT (0.40) APPHDAC8CYP2D6
SCHEMBL18754204 0.72 MAPT (0.43) APPMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727912-B1 CRYSTALS OF GLYCINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES (JP) 2017-04-19 EP disclosed
CN-103619823-B The crystal of glycine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2016-01-20 CN disclosed
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-9162988-B2 Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES, INC. (JP) 2015-10-20 US disclosed
US-9006434-B2 Crystals of glycine derivative and pharmaceutical use thereof TORAY INDUSTRIES, INC. (JP) 2015-04-14 US disclosed
US-20140128605-A1 CRYSTALS OF GLYCINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2014-05-08 US disclosed
EP-2727912-A1 CRYSTALS OF GLYCINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2014-05-07 EP disclosed
CN-103619823-A Crystals of glycine derivative and pharmaceutical use thereof TORAY INDUSTRIES 2014-03-05 CN disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
EP-2042171-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS Toray Industries, Inc. (JP) 2009-04-01 EP disclosed
EP-2039687-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2009-03-25 EP disclosed
EP-2039687-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS Toray Industries, Inc. (JP) 2009-03-25 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
EP-2033637-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA Toray Industries, Inc. (JP) 2009-03-11 EP disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
CN-101128436-A Glycine derivative and use thereof TORAY INDUSTRIES (JP) 2008-02-20 CN disclosed
EP-1840121-A1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2007-10-03 EP 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 (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-20140128605-A1 CRYSTALS OF GLYCINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF PEPD, GLS, SLC6A5 CES2 2850/4885CES1 3454/4885APP 993/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CES2 3942/4885CES1 3595/4885APP 912/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 CES2 4720/4885CES1 2010/4885APP 731/4885

“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.