SCHEMBL1121145

SCHEMBL1121145

CCCN(c1ccc(I)cc1)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
KCNA5 P22460 3/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2D6 P10635 2/20 0.36
KCNE1 P15382 1/20 0.36
APP P05067 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXRA P19793 1/20 0.32
DHFR P00374 2/20 0.32
EGFR P00533 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
PDGFRB P09619 1/20 0.32

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
SCHEMBL1120955 0.85 MAPT (0.40) KCNA5CYP2D6KCNE1APPHTT
SCHEMBL9381367 0.83 KCNA5 (0.44) KMT2APOLBKCNA5KCNH2CYP2D6
SCHEMBL1120975 0.81 APP (0.34) KCNA5APPRAB9AKDR
SCHEMBL1121114 0.78 ALDH1A1 (0.37) KMT2AMEN1NPC1RAB9A
SCHEMBL1121025 0.77 APP (0.33) APPTSHRDRD2DRD3
SCHEMBL1120944 0.74 CYP1A2 (0.41) KMT2AKCNH2CYP2D6APPTSHR
SCHEMBL1121093 0.73 APP (0.32) APPTSHR
SCHEMBL1121246 0.72 HDAC8 (0.39) CYP2D6APPCYP2C19
SCHEMBL1120982 0.72 MAPT (0.49) KMT2AKCNA5TSHRMEN1CYP2C19
SCHEMBL1121100 0.72 MAPK1 (0.39) KMT2APOLBKCNH2CYP2D6TSHR

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 41 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
EP-2039687-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES (JP) 2012-05-02 EP disclosed
EP-2042171-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS Toray Industries, Inc. (JP) 2009-04-01 EP 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
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 (2 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-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP KMT2A 1580/4885POLB 4052/4885KCNA5 2802/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 KMT2A 2114/4885POLB 4124/4885KCNA5 3591/4885

“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.