SCHEMBL5114932

SCHEMBL5114932

CC(C)n1nc(OCc2ccccc2)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38
RET P07949 1/20 0.38
SRC P12931 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ABL1 P00519 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5110036 0.84 KDM4E (0.46) PKMALDH1A1LMNA
SCHEMBL5110040 0.84 KDM4E (0.46) PKMALDH1A1LMNA
SCHEMBL6035175 0.82 PKM (0.58) PKMMAOAMAOBMEN1NPC1
SCHEMBL5109263 0.82 PKM (0.43) PKMMAOAMAOBHTR2AHTR2C
SCHEMBL1267722 0.80 PKM (0.46) PKMHTR2AHTR2CSLC6A4RET
SCHEMBL5120406 0.80 PKM (0.46) PKMMAOAMAOBHTR2AHTR2C
SCHEMBL4852255 0.78 PKM (0.43) PKMMAOAMAOBMEN1NPC1
SCHEMBL5119974 0.78 CNR1 (0.46) PKMMAOAMAOBHTR2AHTR2C
SCHEMBL5111208 0.77 PKM (0.43) PKMHTR2AHTR2CSLC6A4SRC
SCHEMBL5106010 0.76 HTR2C (0.46) PKMMAOAMAOBHTR2AHTR2C

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 3398/4885MAOA 1314/4885MAOB 1596/4885

“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.