SCHEMBL1120944

SCHEMBL1120944

Ic1ccc(N(Cc2ccccc2)c2ncccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
NR3C2 P08235 1/20 0.39
G6PC1 P35575 1/20 0.37
KCNA3 P22001 1/20 0.37
CYP2C19 P33261 2/20 0.37
APP P05067 1/20 0.37
TSHR P16473 4/20 0.36
CYP2D6 P10635 3/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL1121246 0.88 HDAC8 (0.39) CYP1A2CYP3A4G6PC1CYP2C19APP
SCHEMBL1120982 0.81 MAPT (0.49) CYP1A2CYP3A4CYP2C19TSHRALDH1A1
SCHEMBL1120955 0.77 MAPT (0.40) NR3C2APPCYP2D6LMNAALDH1A1
SCHEMBL1120966 0.76 LMNA (0.40) CYP3A4APPTSHRLMNAALDH1A1
SCHEMBL1121145 0.74 KMT2A (0.39) CYP2C19APPTSHRCYP2D6KCNH2
SCHEMBL11271139 0.74 CYP2C19 (0.64) CYP1A2CYP2C19TSHRCYP2D6LMNA
SCHEMBL9446230 0.72 NR3C2 (0.59) NR3C2KCNA3CYP2C19TSHRALDH1A1
SCHEMBL1121025 0.72 APP (0.33) APPTSHRHTR2ADRD1DRD3
SCHEMBL28470935 0.71 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
Iodide SCHEMBL11397726 0.71 TSHR (0.38) CYP1A2NR3C2KCNA3TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2013-06-13 US disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 EP disclosed
EP-1840121-B1 GLYCINE DERIVATIVE AND USE THEREOF TORAY INDUSTRIES (JP) 2012-08-29 EP disclosed
EP-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
CN-101472580-B Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES 2011-08-24 CN disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 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-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-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CYP1A2 3417/4885CYP3A4 4581/4885NR3C2 1511/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP CYP1A2 3417/4885CYP3A4 4581/4885NR3C2 1511/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 CYP1A2 551/4885CYP3A4 339/4885NR3C2 2486/4885

“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.