SCHEMBL1749720

SCHEMBL1749720

CCOC(=O)c1ccc(Oc2ccc(F)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CASP3 P42574 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSPB1 P04792 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
ESR2 Q92731 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 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
SCHEMBL11603129 0.86 MAPT (0.55) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL21628569 0.86 IGFBP3 (0.48) MAPTKMT2AMAPK1SMN1; SMN2CA12
SCHEMBL21628653 0.85 CA12 (0.47) MAPTCA12CA1CA2ESR1
SCHEMBL15669422 0.84 NPC1 (0.53) MAPTKMT2AMEN1HPGDMAPK1
SCHEMBL2814297 0.84 MAPT (0.49) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL7767342 0.84 KMT2A (0.65) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL11543080 0.82 F2 (0.47) MAPTKMT2AMEN1HSPB1LMNA
SCHEMBL21628676 0.82 CA12 (0.43) MAPTKMT2AMEN1SENP7CA12
SCHEMBL21628710 0.82 NPC1 (0.44) MAPTCA12CA1CA2CA7
SCHEMBL21656741 0.82 MAPT (0.49) MAPTMAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 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 (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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAPT 4824/4885KMT2A 4317/4885MEN1 982/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885KMT2A 4320/4885MEN1 1308/4885

“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.