SCHEMBL4466439

SCHEMBL4466439

O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc2cc(OCc3ccccc3)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HTT P42858 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH3 Q9Y5N1 8/20 0.57
KDM4E B2RXH2 2/20 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
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 1/20 0.56
PDGFRB P09619 1/20 0.54

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
SCHEMBL4461598 0.99 ALDH1A1 (0.58) SMN1; SMN2LMNAALDH1A1HTTMEN1
Trifluoroacetic Acid SCHEMBL4474703 0.95 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1HTTMEN1
Trifluoroacetic Acid SCHEMBL4466676 0.94 KDM4E (0.52) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL4480562 0.91 ALDH1A1 (0.55) SMN1; SMN2LMNAALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL4466303 0.90 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1HTTMEN1
SCHEMBL4464567 0.89 ACHE (0.53) SMN1; SMN2LMNAALDH1A1HTTKDM4E
Trifluoroacetic Acid SCHEMBL4465727 0.85 ACHE (0.51) SMN1; SMN2LMNAALDH1A1HTTKDM4E
SCHEMBL4470715 0.85 KDM4E (0.66) SMN1; SMN2LMNAALDH1A1KDM4ECYP1A2
SCHEMBL13864630 0.81 KDM4E (0.61) SMN1; SMN2ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL4460774 0.81 KDM4E (0.64) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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 11 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 claimed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US claimed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP claimed
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 SMN1; SMN2 4352/4885LMNA 3898/4885ALDH1A1 1060/4885

“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.