SCHEMBL1749196

SCHEMBL1749196

CC(=O)Nc1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NQO2 P16083 2/20 0.59
CYP17A1 P05093 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
MGLL Q99685 1/20 0.57
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57
NPC1 O15118 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
ADAMTS4 O75173 1/20 0.54
RXRA P19793 2/20 0.54
RXRB P28702 2/20 0.54
RXRG P48443 1/20 0.54

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
SCHEMBL3786463 0.88 NQO2 (0.73) MEN1KMT2ANQO2CYP17A1CYP11B1
SCHEMBL8577619 0.86 SMN1; SMN2 (0.70) MEN1KMT2ANQO2CYP17A1CYP11B1
SCHEMBL12171915 0.83 TSHR (0.82) MEN1KMT2ANQO2NPC1TSHR
SCHEMBL12999591 0.83 NPC1 (0.69) MEN1KMT2ANQO2CYP17A1CYP11B1
SCHEMBL1749751 0.83 RXRA (0.57) MEN1KMT2AMGLLNPC1RAB9A
SCHEMBL3644520 0.83 L3MBTL1 (0.76) MEN1KMT2ANPC1TSHRRAB9A
SCHEMBL8457167 0.82 ADORA3 (0.71) MEN1KMT2AMGLLNPC1RAB9A
SCHEMBL4654909 0.82 ALDH1A1 (0.67) MEN1KMT2ANQO2CYP17A1CYP11B1
SCHEMBL14384612 0.82 CNR1 (0.71) MEN1KMT2ACYP17A1CYP11B1CYP11B2
SCHEMBL969807 0.82 RAB9A (0.65) MEN1KMT2ANQO2CYP17A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 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-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP 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
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (4 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 MEN1 982/4885KMT2A 4317/4885NQO2 90/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 MEN1 4355/4885KMT2A 1480/4885NQO2 1312/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MEN1 1308/4885KMT2A 4320/4885NQO2 73/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 MEN1 380/4885KMT2A 1886/4885NQO2 1851/4885

“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.