SCHEMBL1120966

SCHEMBL1120966

CC(=O)Oc1ccc(CN(c2ccc(I)cc2)c2ncccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
STAT6 P42226 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ELANE P08246 1/20 0.36
MAPT P10636 4/20 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
SCHEMBL14394544 0.89 LMNA (0.51) LMNAKDM4EABCB11ESR1CYP3A4
SCHEMBL1120944 0.76 CYP1A2 (0.41) LMNAKDM4ECYP3A4ADRA2ACYP2C9
SCHEMBL1121246 0.75 HDAC8 (0.39) LMNAESR1CYP3A4CYP2C9APP
SCHEMBL177167 0.72 LMNA (0.64) LMNAKDM4EESR1CYP3A4SLC6A3
Hydrochloric Acid SCHEMBL27999837 0.71 LMNA (0.61) LMNAKDM4EESR1CYP3A4SLC6A3
SCHEMBL1120979 0.69 LMNA (0.51) LMNACYP3A4ADRA2ACYP2C9TSHR
SCHEMBL1120955 0.68 MAPT (0.40) LMNAAPPALDH1A1MAPTRXRA
SCHEMBL8936885 0.68 HSD17B10 (0.63) LMNAKDM4EESR1CYP3A4TSHR
SCHEMBL1121093 0.67 APP (0.32) KDM4ETSHRAPP
SCHEMBL8581401 0.66 LMNA (0.55) LMNAKDM4EESR1CYP3A4SLC6A3

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-2042171-B1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES (JP) 2011-05-11 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 LMNA 3593/4885KDM4E 2866/4885ABCB11 3081/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 LMNA 3544/4885KDM4E 2378/4885ABCB11 121/4885

“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.