SCHEMBL2287573

SCHEMBL2287573

CN1N=C(CO)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RECQL P46063 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL15690207 0.81
SCHEMBL14559835 0.71 LMNA (0.36) RAB9ASMN1; SMN2RECQLPKMNPC1
SCHEMBL16311045 0.71 HRH3 (0.35) RAB9ASMN1; SMN2RECQLPKMNPC1
SCHEMBL17525125 0.69 GAA (0.50) RAB9ASMN1; SMN2RECQLPKMNPC1
SCHEMBL2755792 0.69
SCHEMBL1757328 0.68 SCN9A (0.32) GAATHRBPDE4BALDH1A1MAPT
SCHEMBL21384128 0.67
SCHEMBL2285778 0.67 RAB9A (0.47) RAB9ASMN1; SMN2RECQLPKMNPC1
SCHEMBL12646078 0.67 RAB9A (0.47) RAB9ASMN1; SMN2RECQLPKMNPC1
Medazomide SCHEMBL1817436 0.65 RAB9A (0.46) RAB9ASMN1; SMN2RECQLPKMNPC1

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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 US disclosed
EP-2352373-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2011-08-10 EP disclosed
US-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-07-22 US disclosed
WO-2010051177-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-05-06 WO disclosed
EP-2178537-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2009011836-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS MERCK & CO., INC. (US) 2009-01-22 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 (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-20100184758-A1 BETA CARBOLINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS GPR119, SSTR3, SSTR2 RAB9A 3964/4885SMN1; SMN2 3145/4885RECQL 1801/4885
US-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS GPR119, SSTR3, SSTR2 RAB9A 3859/4885SMN1; SMN2 4063/4885RECQL 2081/4885

“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.