SCHEMBL6002145

SCHEMBL6002145

Cc1oncc1C(=O)NCCc1cc2cccc(OCC(=O)O)c2o1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ADORA2A P29274 7/20 0.41
ADORA2B P29275 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ADORA1 P30542 1/20 0.41
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MAOB P27338 1/20 0.39
AKR1C3 P42330 1/20 0.38

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
SCHEMBL4491377 0.80 CNR2 (0.44) MEN1KMT2AMAPTADORA2ARAB9A
SCHEMBL13600937 0.72 CNR2 (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15016130 0.72 KMT2A (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL72931 0.66 KMT2A (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9393272 0.66 POLB (0.53) KDM4EALDH1A1RAB9ANPC1
SCHEMBL8813410 0.64 MAPK1 (0.49) KDM4EALDH1A1RAB9ANPC1NPSR1
SCHEMBL7958975 0.64 KDM4E (0.46) KDM4EALDH1A1ADORA2AADORA1
SCHEMBL7948818 0.64 KDM4E (0.45) MAPTKDM4EALDH1A1ADORA2AADORA1
SCHEMBL9392497 0.64 LMNA (0.52) ALDH1A1RAB9ANPC1NPSR1
SCHEMBL8810359 0.64 MAPK1 (0.51) KDM4EALDH1A1RAB9ANPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R MEN1 3723/4885KMT2A 312/4885MAPT 1497/4885

“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.