SCHEMBL2236853

SCHEMBL2236853

Nc1ccc(NCc2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR6 P50406 1/20 0.48
TDP1 Q9NUW8 4/20 0.48
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL1226181 0.90 HTR6 (0.50) HTTMEN1KMT2APOLBMAPT
SCHEMBL20129851 0.86 TSHR (0.59) HTTMEN1KMT2AMAPTLMNA
SCHEMBL20129837 0.85 HTR6 (0.60) MEN1KMT2APOLBMAPTLMNA
SCHEMBL17761678 0.85 HTR6 (0.45) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8966735 0.85 FFAR1 (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL31577304 0.82 MAPT (0.64) HTTMEN1KMT2AMAPTLMNA
SCHEMBL18600198 0.80 PTPRF (0.71) HTTMEN1KMT2APOLBMAPT
SCHEMBL8966029 0.80 MAPT (0.47) HTTMEN1KMT2APOLBMAPT
SCHEMBL1226537 0.80 KCNQ3 (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2470791 0.79 HTR6 (0.59) HTTMEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102593-B2 Process for the preparation of retigabine GLAXO GROUP LIMITED (GB) 2015-08-11 US claimed
US-20130345465-A1 PROCESS FOR THE PREPARATION OF RETIGABINE GLAXO GROUP LIMITED (GB) 2013-12-26 US claimed
EP-2665702-A1 PROCESS FOR THE PREPARATION OF RETIGABINE Glaxo Group Limited (GB) 2013-11-27 EP claimed
WO-2012098075-A1 PROCESS FOR THE PREPARATION OF RETIGABINE GLAXO GROUP LIMITED (GB) 2012-07-26 WO claimed
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
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
US-20120288544-A1 NOVEL RETIGABINE COMPOSITION GLAXO GROUP LIMITED (GB) 2012-11-15 US disclosed
WO-2012098075-A1 PROCESS FOR THE PREPARATION OF RETIGABINE GLAXO GROUP LIMITED (GB) 2012-07-26 WO disclosed
WO-2012098075-A1 PROCESS FOR THE PREPARATION OF RETIGABINE GLAXO GROUP LIMITED (GB) 2012-07-26 WO 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
EP-0554543-B1 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA MEDICA AG (DE) 1996-02-28 EP disclosed
US-5384330-A Pharmaceutically active 1,2,4-triamino-benzene derivatives, processes for their preparation and pharmaceutical compositions containing them ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0554543-A2 1,2,4-Triaminobenzene derivatives and process for their preparation ASTA Medica Aktiengesellschaft (DE) 1993-08-11 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-20120288544-A1 NOVEL RETIGABINE COMPOSITION CNR2, CNR1, CACNA1B HTT 2034/4885MEN1 2976/4885KMT2A 360/4885
US-20130345465-A1 PROCESS FOR THE PREPARATION OF RETIGABINE KCNB1, CYP4B1, KDM2B HTT 3077/4885MEN1 3313/4885KMT2A 212/4885
US-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 HTT 64/4885MEN1 1794/4885KMT2A 811/4885

“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.