SCHEMBL899743

SCHEMBL899743

NCc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 5/20 0.52
POLB P06746 3/20 0.52
MAPT P10636 2/20 0.52
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
PDE7A Q13946 5/20 0.46
LMNA P02545 1/20 0.46
VCAM1 P19320 1/20 0.46
GAA P10253 1/20 0.44
PDE7B Q9NP56 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3070950 0.86 TSHR (0.55) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL535352 0.85 MAPK1 (0.53) TSHRMAPK1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL3554884 0.84 MAPK1 (0.52) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2949639 0.83 TSHR (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL67864 0.83 MAPK1 (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL27273104 0.83 MAPK1 (0.60) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL68181 0.81 TSHR (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL68713 0.81 TSHR (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL6377973 0.81 MAPK1 (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1
SCHEMBL9191570 0.81 MAPK1 (0.58) TSHRMAPK1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-27 US disclosed
US-8598183-B2 Solid state forms of a potent HCV inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-31 US disclosed
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 US disclosed
WO-2013147750-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013147749-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
WO-2013149147-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
EP-2621495-A1 COMBINATION THERAPY FOR TREATING HCV INFECTION Boehringer Ingelheim International GmbH (DE) 2013-08-07 EP disclosed
EP-1018333-B1 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process OREAL (FR) 2006-03-01 EP disclosed
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1453516-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-09-08 EP disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
WO-2003032994-A2 NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 WO disclosed
US-6478827-B1 Use of cationic monobenzene nitroanilines in the dyeing of keratinous fibers, dyeing compositions and dyeing processes L'ORéAL S.A. (FR) 2002-11-12 US disclosed
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 US disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed
EP-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 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 (7 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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 TSHR 3558/4885MAPK1 2993/4885KMT2A 2987/4885
US-20130288957-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUBGENOTYPE POPULATIONS IL36G, IL17A, IL6ST TSHR 2633/4885MAPK1 2417/4885KMT2A 4074/4885
US-20130261050-A1 ORAL COMBINATION THERAPY FOR TREATING HCV INFECTION IN SPECIFIC PATIENT SUB-POPULATION SLC10A1, HAVCR2, GOT2 TSHR 3874/4885MAPK1 4338/4885KMT2A 3755/4885
US-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 TSHR 2452/4885MAPK1 1207/4885KMT2A 4026/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 TSHR 2038/4885MAPK1 1279/4885KMT2A 4480/4885
US-20130261134-A1 MESYLATE SALT FORMS OF A POTENT HCV INHIBITOR SLC10A1, HAVCR2, ABL1 TSHR 4732/4885MAPK1 758/4885KMT2A 1236/4885
US-20140057928-A1 SOLID STATE FORMS OF A POTENT HCV INHIBITOR HAVCR2, SLC10A1, ZC3HAV1 TSHR 4574/4885MAPK1 455/4885KMT2A 2246/4885

“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.