SCHEMBL1994756

SCHEMBL1994756

Nc1cc2c(cc1[N+](=O)[O-])C(=O)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 3/20 0.41
BAZ1A Q9NRL2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL11980460 0.79 BAZ1A (0.37) MAPTMEN1KMT2AMCL1CASP1
SCHEMBL1025369 0.79 ALDH1A1 (0.40) MAPTCASP1CASP7HSD17B10TDP1
SCHEMBL7894568 0.79 ATM (0.42) MAPTCASP1CASP7HSD17B10TDP1
SCHEMBL1090688 0.79 ALDH1A1 (0.51) MAPTKMT2AMCL1CASP1CASP7
SCHEMBL6204798 0.79 MAPK1 (0.42) MAPTCASP1CASP7HSD17B10TDP1
SCHEMBL27087781 0.78 KDM4E (0.45) MAPTMEN1KMT2APOLBMCL1
SCHEMBL460543 0.77 CASP1 (0.57) MEN1KMT2ACASP1CASP7HSD17B10
SCHEMBL2246168 0.77 MAPT (0.49) MAPTMEN1KMT2APOLBMCL1
SCHEMBL7162505 0.76 TYMS (0.53) MAPTKMT2AMCL1CASP1CASP7
SCHEMBL30957320 0.76 PGR (0.42) MAPTCASP1CASP7HSD17B10TDP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338487-B2 Substituted arylamino-1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2012-12-25 US disclosed
US-8338487-B2 Substituted arylamino-1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2012-12-25 US disclosed
US-8338487-B2 Substituted arylamino-1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS INTERNATIONAL, INC. (US) 2012-12-25 US disclosed
US-20110207812-A1 SUBSTITUTED ARYLAMINO-1,2,3,4-TETRAHYDRO NAPHTHALENES AND -2,3-DIHYDRO-1H-INDENES AS POTASSIUM CHANNEL MODULATORS ORAPHARMA, INC. 2011-08-25 US disclosed
US-20110207812-A1 SUBSTITUTED ARYLAMINO-1,2,3,4-TETRAHYDRO NAPHTHALENES AND -2,3-DIHYDRO-1H-INDENES AS POTASSIUM CHANNEL MODULATORS ORAPHARMA, INC. 2011-08-25 US disclosed
US-20110207812-A1 SUBSTITUTED ARYLAMINO-1,2,3,4-TETRAHYDRO NAPHTHALENES AND -2,3-DIHYDRO-1H-INDENES AS POTASSIUM CHANNEL MODULATORS ORAPHARMA, INC. 2011-08-25 US disclosed
US-7960436-B2 Therapy and prophylaxis of diseases and disorders such as seizure disorders; [1-Amino-5-(4-trifluoromethyl-phenylamino)-5,6,7,8-tetrahydro-naphthalen-2-yl]-carbamic acid ethyl ester VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-06-14 US disclosed
US-7960436-B2 Therapy and prophylaxis of diseases and disorders such as seizure disorders; [1-Amino-5-(4-trifluoromethyl-phenylamino)-5,6,7,8-tetrahydro-naphthalen-2-yl]-carbamic acid ethyl ester VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-06-14 US disclosed
US-7960436-B2 Therapy and prophylaxis of diseases and disorders such as seizure disorders; [1-Amino-5-(4-trifluoromethyl-phenylamino)-5,6,7,8-tetrahydro-naphthalen-2-yl]-carbamic acid ethyl ester VALEANT PHARMACEUTICALS INTERNATIONAL (US) 2011-06-14 US disclosed
US-20080146661-A1 Substituted arylamino -1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-19 US disclosed
US-20080146661-A1 Substituted arylamino -1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-19 US disclosed
US-20080146661-A1 Substituted arylamino -1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators VALEANT PHARMACEUTICALS NORTH AMERICA (US) 2008-06-19 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-20110207812-A1 SUBSTITUTED ARYLAMINO-1,2,3,4-TETRAHYDRO NAPHTHALENES AND -2,3-DIHYDRO-1H-INDENES AS POTASSIUM CHANNEL MODULATORS SCN1B, SCN1A, SCN4A MAPT 3337/4885MEN1 1428/4885KMT2A 1509/4885
US-20080146661-A1 Substituted arylamino -1,2,3,4-tetrahydro naphthalenes and -2,3-dihydro-1H-indenes as potassium channel modulators SCN1B, SCN1A, SCN4A MAPT 3170/4885MEN1 1344/4885KMT2A 1488/4885

“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.