SCHEMBL1226537

SCHEMBL1226537

Nc1ccc(NCc2ccc(F)cc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.54
KCNQ2 O43526 1/20 0.54
KCNQ4 P56696 1/20 0.54
KCNQ5 Q9NR82 1/20 0.54
PPARA Q07869 3/20 0.48
STING1 Q86WV6 1/20 0.48
KCNH3 Q9ULD8 3/20 0.47
LMNA P02545 2/20 0.45
P4HTM Q9NXG6 1/20 0.45
NOS1 P29475 1/20 0.41
GAA P10253 1/20 0.41
ARG1 P05089 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL13829230 0.85 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5PPARA
SCHEMBL16625703 0.85 KCNQ3 (0.57) KCNQ3KCNQ2KCNQ4KCNQ5PPARA
SCHEMBL31577309 0.81 FFAR1 (0.51) PPARA
SCHEMBL10055033 0.80 LMNA (0.61) KCNH3LMNAP4HTMGAAMEN1
SCHEMBL6419238 0.80 LMNA (0.61) KCNH3LMNAP4HTMGAAMEN1
SCHEMBL2236853 0.80 HTT (0.49) KCNQ3KCNQ2KCNQ4KCNQ5LMNA
SCHEMBL15996872 0.79 LMNA (0.53) KCNQ3KCNQ2KCNQ4KCNQ5PPARA
SCHEMBL11936055 0.79 LMNA (0.53) KCNQ3KCNQ2KCNQ4KCNQ5PPARA
SCHEMBL1226181 0.79 HTR6 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5LMNA
SCHEMBL3901268 0.78 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103288653-A Method for preparing 4-(4-fluorine benzyl amino)-1,2-phenylenediamine ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2013-09-11 CN claimed
US-20200399196-A1 Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof UNIV OKLAHOMA STATE (US) 2020-12-24 US disclosed
WO-2018187336-A1 HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2018-10-11 WO disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 US disclosed
EP-2772481-B1 NOVEL COMPOUND AS KCNQ POTASSIUM CHANNEL AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2017-01-18 EP disclosed
US-9353048-B2 Compound as KCNQ potassium channel agonist, preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-31 US disclosed
US-9353048-B2 Compound as KCNQ potassium channel agonist, preparation method therefor and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-31 US disclosed
WO-2016077724-A1 (2-AMINO-4(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 WO disclosed
EP-2536394-A2 STABILIZED PHENYLCARBAMATE DERIVATIVE IN SOLID STATE Medichem S.A. (ES) 2012-12-26 EP disclosed
WO-2011101456-A2 STABILIZED PHENYLCARBAMATE DERIVATIVE IN SOLID STATE MEDICHEM S.A. (ES) 2011-08-25 WO disclosed
WO-2011101456-A2 STABILIZED PHENYLCARBAMATE DERIVATIVE IN SOLID STATE MEDICHEM S.A. (ES) 2011-08-25 WO disclosed
WO-2011012659-A2 DIETHYL 4-(4-FLUOROBENZYLAMINO)-1,2-PHENYLENEDICARBAMATE, AND SALTS THEREOF MEDICHEM S.A. (ES) 2011-02-03 WO disclosed
WO-2011012659-A2 DIETHYL 4-(4-FLUOROBENZYLAMINO)-1,2-PHENYLENEDICARBAMATE, AND SALTS THEREOF MEDICHEM S.A. (ES) 2011-02-03 WO disclosed
CN-101921195-A Simple method for synthesizing intermediate of retigabine BEIJING D VENTURE PHARM TECH 2010-12-22 CN disclosed
CN-101921195-A Simple method for synthesizing intermediate of retigabine BEIJING D VENTURE PHARM TECH 2010-12-22 CN disclosed
EP-1414791-A1 METHOD FOR THE PRODUCTION OF 1,2,4-TRIAMINOBENZOLECARBAMIC ACID ESTERS VIATRIS GmbH & Co. KG (DE) 2004-05-06 EP disclosed
WO-2003010134-A1 METHOD FOR THE PRODUCTION OF 1,2,4-TRIAMINOBENZOLECARBAMIC ACID ESTERS VIATRIS GMBH & CO. KG (DE) 2003-02-06 WO disclosed
US-20030023111-A1 Process for the production of 1,2,4-triaminobenzene carbamic acid esters XCEL PHARMACEUTICALS, INC. 2003-01-30 US 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-20030023111-A1 Process for the production of 1,2,4-triaminobenzene carbamic acid esters CPS1, OTUB1, CYP4B1 KCNQ3 3294/4885KCNQ2 2659/4885KCNQ4 2079/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 KCNQ3 1235/4885KCNQ2 1257/4885KCNQ4 1297/4885

“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.