SCHEMBL358772

SCHEMBL358772

COc1cccc(NC(=O)NCCNC(C)=O)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.74
MTNR1B P49286 4/20 0.74
CASR P41180 1/20 0.67
PKM P14618 3/20 0.65
KMT2A Q03164 2/20 0.65
HTT P42858 2/20 0.65
HSD17B10 Q99714 1/20 0.65
TP53 P04637 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 3/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 2/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL12988620 0.87 PKM (0.74) MTNR1BCASRPKMKMT2AHTT
SCHEMBL28805992 0.86 MTNR1A (0.71) MTNR1AMTNR1BKMT2AHTTSMN1; SMN2
SCHEMBL6691828 0.86 HTT (0.69) CASRPKMKMT2AHTTHSD17B10
SCHEMBL3396218 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL30080294 0.85 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5612967 0.84 PKM (0.83) CASRPKMKMT2AHTTHSD17B10
SCHEMBL27773680 0.84 PKM (0.71) CASRPKMKMT2AHTTHSD17B10
SCHEMBL2888920 0.84 CASR (0.61) MTNR1AMTNR1BCASRPKMKMT2A
SCHEMBL13480581 0.84 MTNR1B (0.72) MTNR1BCASRPKMKMT2AHTT
SCHEMBL22170204 0.83 CASR (0.75) CASRPKMKMT2AHTTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103373969-A Phenyl imidazole ring-substituted amide compounds as well as preparation method and application for same SHANGHAI INST ORGANIC CHEM 2013-10-30 CN disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885CASR 3429/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885CASR 3429/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885CASR 3429/4885

“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.