SCHEMBL6036091

SCHEMBL6036091

Cn1nc(OCc2ccccc2)cc1CC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
MAOB P27338 7/20 0.43
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL6035812 0.81 PKM (0.56) PKMMAOBATP4AATP4BMEN1
SCHEMBL17473476 0.81 PKM (0.56) PKMMAOBMEN1KMT2ANPC1
SCHEMBL6035501 0.78 PKM (0.56) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL13860622 0.76 PKM (0.60) PKMMAOBATP4AATP4BNPC1
SCHEMBL17473591 0.76 PKM (0.50) PKMMEN1KMT2ANPC1RAB9A
SCHEMBL26353196 0.75 PKM (0.59) PKMMAOBMEN1MAPK1KMT2A
SCHEMBL17473386 0.73 PKM (0.50) PKM
SCHEMBL21233308 0.72 PKM (0.56) PKMMAOBMEN1CYP1A2CYP3A4
SCHEMBL17473560 0.71 PKM (0.58) PKMMEN1KMT2ATSHRKDM4C
SCHEMBL6035175 0.71 PKM (0.58) PKMMAOBMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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 (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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PKM 2082/4885MAOB 954/4885ATP4A 434/4885

“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.