SCHEMBL1277976

SCHEMBL1277976

CCCOc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.78
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
TSHR P16473 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45

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
SCHEMBL9651479 0.94 MAPT (0.68) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL10430091 0.91 MAPT (0.65) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL11420051 0.90 MAPT (0.62) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL16742372 0.90 MAPT (0.63) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL16516336 0.90 MAPT (0.63) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL11545117 0.89 MAPT (0.60) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL11548169 0.89 MAPT (0.60) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL15063392 0.88 MAPT (1.00) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL1277890 0.87 MAPT (0.77) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL11545962 0.87 MAPT (0.59) MAPTALDH1A1LMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN claimed
WO-2023239007-A1 BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR INFECTIOUS DISEASES CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-12-14 WO disclosed
CN-111362867-B Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2023-04-18 CN disclosed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN disclosed
US-8951998-B2 Quinoxaline-containing compounds as hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-02-10 US disclosed
EP-2143727-B1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2015-01-21 EP disclosed
EP-2797896-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2014-11-05 EP disclosed
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-8809264-B2 Quinoxalinyl macrocyclic hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
CN-101896483-B Glucokinase activators and pharmaceutical compositions containing the same as active ingredients LG LIFE SCIENCES LTD 2013-11-20 CN disclosed
WO-2008002924-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-01-03 WO disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-1615613-A4 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-02-14 EP disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 US disclosed
EP-1615613-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2006-01-18 EP disclosed
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2004-12-30 US disclosed
WO-2004093798-A2 QUINOXALINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
CN-1083478-A The method for preparing benzimidazole compound HUBEI PHARMACEUTICAL FACTORY (CN) 1994-03-09 CN 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 (5 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-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 MAPT 2281/4885ALDH1A1 1573/4885LMNA 3055/4885
US-20040266668-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, CTSC MAPT 4500/4885ALDH1A1 1229/4885LMNA 2349/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC MAPT 4393/4885ALDH1A1 1344/4885LMNA 2228/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN MAPT 4479/4885ALDH1A1 1352/4885LMNA 2324/4885
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 MAPT 5/4885ALDH1A1 1479/4885LMNA 1045/4885

“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.