SCHEMBL4471654

SCHEMBL4471654

CC(c1ccc(NC(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)cc1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
SRD5A2 P31213 1/20 0.52
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
FLT3 P36888 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 3/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL4480562 0.85 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL4466303 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4464553 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4463280 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4468980 0.79 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4460774 0.79 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4470715 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4461598 0.78 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL13864726 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4461575 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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 7 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

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 KDM4E 2454/4885ALDH1A1 1060/4885HPGD 1342/4885

“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.