SCHEMBL4476650

SCHEMBL4476650

CCN(CC)CCOc1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
SRD5A2 P31213 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
FLT3 P36888 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MCHR1 Q99705 2/20 0.50

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
SCHEMBL4464557 0.91 KDM4E (0.57) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4470610 0.90 KDM4E (0.53) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4460803 0.89 KDM4E (0.59) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4468012 0.86 KDM4E (0.56) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL13864630 0.83 KDM4E (0.61) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4464553 0.83 KDM4E (0.56) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4460774 0.83 KDM4E (0.64) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4484324 0.83 KDM4E (0.64) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4470715 0.83 KDM4E (0.66) NPC1RAB9ARXFP1ALDH1A1KDM4E
SCHEMBL4481500 0.82 KDM4E (0.55) NPC1RAB9ARXFP1ALDH1A1KDM4E

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 8 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-7531668-B2 2-arylcarboxamide-nitrogenous heterocycle compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-12 US disclosed
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
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 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
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 NPC1 864/4885RAB9A 1715/4885RXFP1 68/4885

“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.