SCHEMBL4634941

SCHEMBL4634941

O=C(O)CCC(=O)COc1c(C(=O)NCC2CCCCC2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR1 P21554 1/20 0.46
NMT1 P30419 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLK4 O00444 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
RET P07949 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL4634477 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4633945 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4632938 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4632926 0.81 CXCR2 (0.48) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4632932 0.79 SENP2 (0.52) ALDH1A1MEN1KMT2ASENP5SENP2
SCHEMBL4634944 0.79 ABCC1 (0.43) ALDH1A1MEN1KMT2ANMT1SMN1; SMN2
SCHEMBL4635007 0.79 CXCR2 (0.49) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4635082 0.77 KMT2A (0.48) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4634467 0.76 KMT2A (0.47) ALDH1A1MEN1KMT2ACNR1NMT1
SCHEMBL4633962 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACNR1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685121-B1 ANTIDIABETIC COMPOUNDS COMPRISING BENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2008-06-11 EP disclosed
US-7375130-B2 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-05-20 US disclosed
US-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives MERCK PATENT GMBH (DE) 2007-04-05 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 (1 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-20070078178-A1 Antidiabetic compounds comprising benzofuran and benzothiophene derivatives GPR119, INSR, GLP1R ALDH1A1 668/4885MEN1 1735/4885KMT2A 3455/4885

“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.