SCHEMBL1121101

SCHEMBL1121101

COc1ccnc(Nc2ccc(I)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
SYK P43405 4/20 0.44
PTK2 Q05397 1/20 0.43
AURKA O14965 2/20 0.43
ALOX12 P18054 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
EGFR P00533 1/20 0.41
CDK5 Q00535 1/20 0.41

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
SCHEMBL14843676 0.83 NPC1 (0.51) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2280151 0.83 AURKA (0.59) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1121053 0.81 VSIR (0.47) MEN1KMT2AMAPTALDH1A1BACE1
SCHEMBL16820264 0.81 SYK (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13729887 0.80 MEN1 (0.64) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL3041521 0.75 KDR (0.56) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL19998633 0.75 CDK2 (0.51) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL3753572 0.74 MAPK10 (0.63) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL3048431 0.74 KDR (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL3265737 0.73 HTR3A (0.39) MEN1KMT2ANPC1RAB9ALMNA

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 25 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-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-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
CN-101472900-B Therapeutic or prophylactic agent for multiple sclerosis TORAY INDUSTRIES 2011-07-27 CN disclosed
CN-101472581-B Therapeutic or prophylactic agent for leukemia TORAY INDUSTRIES 2011-06-08 CN disclosed
EP-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 EP disclosed
US-7893046-B2 agent comprises as an effective ingredient a glycine derivative or a pharmaceutically acceptable salt thereof, for example [(E)-2-(2,6-dichlorobenzamido)-5-[4-(isopropyl-pyrimidin-2-ylamino)phenyl]pent-4-enoic acid] TORAY INDUSTRIES, INC. (JP) 2011-02-22 US disclosed
EP-2033637-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES (JP) 2011-02-09 EP disclosed
CN-101472580-A Therapeutic or prophylactic agent for allergic dermatitis TORAY INDUSTRIES (JP) 2009-07-01 CN disclosed
CN-101472581-A Therapeutic or prophylactic agent for leukemia TORAY INDUSTRIES (JP) 2009-07-01 CN disclosed
CN-101472900-A Therapeutic or prophylactic agent for multiple sclerosis TORAY INDUSTRIES (JP) 2009-07-01 CN 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
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 MEN1 4240/4885KMT2A 1580/4885NPC1 2743/4885
US-20130150390-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP MEN1 4240/4885KMT2A 1580/4885NPC1 2743/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 MEN1 1004/4885KMT2A 2114/4885NPC1 722/4885

“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.