SCHEMBL4465734

SCHEMBL4465734

COC1CCN(Cc2ccc(NC(=O)c3[nH]c4ccc(OCc5ccccc5)cc4c3OC(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
ACHE P22303 3/20 0.46
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC6A5 Q9Y345 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HIF1A Q16665 1/20 0.43
FAAH O00519 1/20 0.42
CHRM4 P08173 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4466681 0.91 SMN1; SMN2 (0.49) GSK3BKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4474709 0.90 SMN1; SMN2 (0.51) GSK3BKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4473787 0.83 SMN1; SMN2 (0.45) ACHEKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4475209 0.82 KDM4E (0.41) KDM4EHTTMAPTSMN1; SMN2RAB9A
Trifluoroacetic Acid SCHEMBL4465727 0.81 ACHE (0.51) GSK3BACHEKDM4EHTTMAPT
SCHEMBL4461647 0.81 SMN1; SMN2 (0.43) ACHEKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4482193 0.80 MAPT (0.43) ACHEKDM4EHTTMAPTSMN1; SMN2
SCHEMBL4464567 0.79 ACHE (0.53) GSK3BACHEKDM4EHTTMAPT
SCHEMBL4482778 0.75 MAPT (0.43) KDM4EHTTMAPTSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL4466676 0.71 KDM4E (0.52) ACHEKDM4EHTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R GSK3B 3810/4885ACHE 4423/4885KDM4E 2454/4885

“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.