SCHEMBL5109263

SCHEMBL5109263

CC(C)Cn1nc(OCc2ccccc2)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
ACHE P22303 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.35
GRM3 Q14832 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5120406 0.85 PKM (0.46) PKMMAOAMAOBCNR2CNR1
SCHEMBL5106916 0.84 KDM4E (0.44) PKMALDH1A1LMNA
SCHEMBL5106913 0.84 KDM4E (0.44) PKMALDH1A1LMNA
SCHEMBL5119974 0.84 CNR1 (0.46) PKMMAOAMAOBCNR2CNR1
SCHEMBL5114932 0.82 PKM (0.45) PKMHRH3MAOAMAOBHTR2A
SCHEMBL6035175 0.80 PKM (0.58) PKMMAOAMAOBMAPTMEN1
SCHEMBL5109792 0.77 HPGD (0.45) PKMMAPTALDH1A1LMNAHPGD
SCHEMBL4852255 0.76 PKM (0.43) PKMMAOAMAOBACHEMAPT
SCHEMBL4914763 0.75 SMN1; SMN2 (0.41) MAPTHTR2AHTR2CSLC6A4MEN1
SCHEMBL5118980 0.74 POLB (0.41) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PKM 3398/4885HRH3 637/4885MAOA 1314/4885

“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.