SCHEMBL1749879

SCHEMBL1749879

O=C(O)c1ccc(COc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NR4A1 P22736 1/20 0.59
NR4A3 Q92570 1/20 0.59
RXRA P19793 5/20 0.57
RXRB P28702 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RXRG P48443 1/20 0.57
TSHR P16473 1/20 0.57
SRD5A2 P31213 2/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 1/20 0.55
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
PLA2G4B P0C869 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51

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
SCHEMBL6204996 0.97 NR4A2 (0.65) NR4A2RAB9AMAPTNPSR1NR4A1
SCHEMBL18906035 0.85 NR4A2 (0.69) NR4A2RAB9ANR4A1NR4A3RXRA
SCHEMBL5944017 0.84 NR4A2 (0.63) NR4A2RXRARXRBSMN1; SMN2RXRG
SCHEMBL18906070 0.84 MRGPRX4 (0.67) NR4A2RAB9ASMN1; SMN2CYP4F2CYP4A11
Acetic Acid SCHEMBL27351298 0.83 KMT2A (0.58) RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL30150593 0.82 RAB9A (0.62) RAB9AMAPTNPSR1POLB
SCHEMBL1750167 0.82 NR4A2 (0.86) NR4A2RAB9AMAPTNR4A1NR4A3
SCHEMBL1323646 0.82 RAB9A (0.62) RAB9AMAPTNPSR1POLB
SCHEMBL5176402 0.81 MRGPRX4 (0.53) NR4A2RAB9AMAPTNPSR1RXRA
Bromide SCHEMBL27462942 0.80 RAB9A (0.60) RAB9AMAPTNPSR1SMN1; SMN2

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-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
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

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 NR4A2 1119/4885RAB9A 4319/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 NR4A2 1081/4885RAB9A 4386/4885MAPT 4800/4885

“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.