SCHEMBL773204

SCHEMBL773204

CCCc1c(C(=O)O)cnn1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.78
ALDH1A1 P00352 9/20 0.62
MAPT P10636 5/20 0.62
MAPK1 P28482 4/20 0.62
GAA P10253 2/20 0.62
MAPK14 Q16539 3/20 0.61
POLB P06746 1/20 0.59
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
LMNA P02545 1/20 0.57

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
SCHEMBL13593554 0.90 ALDH1A1 (0.63) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL27808 0.88 NR4A3 (0.61) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL1905624 0.88 NR4A3 (1.00) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2079637 0.87 NR4A3 (0.59) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL4499357 0.87 NR4A3 (0.59) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL6928162 0.86 NR4A3 (0.58) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2326321 0.85 ALDH1A1 (0.68) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2856945 0.84 ALDH1A1 (0.81) ALDH1A1MAPTMAPK1GAAMAPK14
SCHEMBL2857718 0.83 ALDH1A1 (0.69) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL4485719 0.82 NR4A3 (0.54) NR4A3ALDH1A1MAPTMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745009-B1 HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-11-14 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP claimed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US claimed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US claimed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO claimed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
EP-3714012-B1 CHEMICAL MECHANICAL POLISHING COMPOSITION BASF SE (DE) 2023-01-11 EP disclosed
CN-107922787-B Use of Chemical Mechanical Polishing (CMP) compositions for polishing cobalt-containing substrates 巴斯夫欧洲公司 2021-06-29 CN disclosed
US-20210102093-A1 USE OF A CHEMICAL MECHANICAL POLISHING (CMP) COMPOSITION FOR POLISHING OF COBALT COMPRISING SUBSTRATES BASF SE (DE) 2021-04-08 US disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
WO-2003037274-A2 PYRAZOLE-AMIDES AND-SULFONAMIDES ICAGEN, INC. (US) 2003-05-08 WO disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO 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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 NR4A3 319/4885ALDH1A1 726/4885MAPT 4661/4885
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 NR4A3 2517/4885ALDH1A1 119/4885MAPT 1757/4885
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 NR4A3 1079/4885ALDH1A1 658/4885MAPT 4579/4885

“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.