SCHEMBL5401933

SCHEMBL5401933

Cn1cc(CC#N)c(OCc2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
BRD4 O60885 1/20 0.42
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR2A P28223 1/20 0.41
MAOB P27338 4/20 0.40
PKM P14618 1/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL6035911 0.84 ATP4A (0.44) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5407280 0.82 ATP4A (0.42) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5109055 0.82 CNR1 (0.44) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL5405502 0.81 CNR1 (0.44) ATP4AATP4BMAPK1BRD4HTR2C
SCHEMBL6035212 0.78 PTGDR2 (0.46) MAPK1BRD4MAOBPKMADORA3
SCHEMBL12969922 0.75 PKM (0.44) ATP4AATP4BMAPK1BRD4HTR2C
SCHEMBL32681713 0.75 PKM (0.44) MAPK1BRD4HTR2CSLC6A4HTR2A
SCHEMBL5397261 0.75 ALDH1A1 (0.41) MEN1MAPK1KMT2ABRD4HTR2C
SCHEMBL26118693 0.75 ATP4A (0.40) ATP4AATP4BCYP1A2CYP2C9MAPK1
SCHEMBL4031832 0.74 LTA4H (0.44) ATP4AATP4BMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
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
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP 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 (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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 ATP4A 844/4885ATP4B 1745/4885MEN1 1753/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 ATP4A 434/4885ATP4B 348/4885MEN1 2048/4885

“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.