SCHEMBL5120406

SCHEMBL5120406

CCn1nc(OCc2ccccc2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 3/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM5 P41594 1/20 0.37
GRM3 Q14832 1/20 0.37
NUDT1 P36639 1/20 0.37
ACHE P22303 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
BCHE P06276 1/20 0.36
LIPC P11150 1/20 0.36
LIPE Q05469 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL5119974 0.87 CNR1 (0.46) PKMMAOAMAOBHTR2CSLC6A4
SCHEMBL5109263 0.85 PKM (0.43) PKMMAOAMAOBHTR2CSLC6A4
SCHEMBL5107853 0.83 KDM4E (0.48) PKM
SCHEMBL5107858 0.83 KDM4E (0.48) PKM
SCHEMBL6035175 0.83 PKM (0.58) PKMMAOAMAOBNPC1RAB9A
SCHEMBL4914763 0.81 SMN1; SMN2 (0.41) HTR2CSLC6A4HTR2ANPC1RAB9A
SCHEMBL5114932 0.80 PKM (0.45) PKMMAOAMAOBHTR2CSLC6A4
SCHEMBL4852255 0.79 PKM (0.43) PKMMAOAMAOBNPC1RAB9A
SCHEMBL5113546 0.78 TP53 (0.42) HTR2CSLC6A4HTR2ANPC1RAB9A
SCHEMBL24014297 0.78 PKM (0.46) PKMMAOBHTR2CSLC6A4HTR2A

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.