SCHEMBL1767563

SCHEMBL1767563

N#Cc1ccc(C(=O)Nc2cc(C(=O)NCc3ccccc3)ccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.52
MAOA P21397 2/20 0.52
EPHX2 P34913 1/20 0.51
NAMPT P43490 1/20 0.51
IDO1 P14902 1/20 0.51
HDAC1 Q13547 2/20 0.48
ROCK2 O75116 2/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
MAPK1 P28482 1/20 0.48
AKT1 P31749 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCD Q05655 1/20 0.48

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
SCHEMBL1767513 0.88 HTT (0.61) LMNASMN1; SMN2HTTNAMPTHDAC1
SCHEMBL1767460 0.85 L3MBTL1 (0.56) LMNASMN1; SMN2HTTNAMPTIDO1
SCHEMBL13574797 0.85 LMNA (0.55) LMNASMN1; SMN2HTTEPHX2NAMPT
SCHEMBL1767472 0.83 KDM1A (0.59) LMNASMN1; SMN2HTTMAOANAMPT
SCHEMBL14502129 0.83 EPHX2 (0.69) LMNAMAOAEPHX2HDAC1ROCK2
SCHEMBL1767497 0.82 NPC1 (0.60) LMNASMN1; SMN2HTTHDAC1KDM1A
SCHEMBL1767384 0.82 HTT (0.55) LMNASMN1; SMN2HTTNAMPTROCK2
SCHEMBL1767572 0.81 TSHR (0.56) LMNASMN1; SMN2HTTNAMPTHDAC1
SCHEMBL1767434 0.81 HDAC1 (0.60) LMNASMN1; SMN2HTTNAMPTHDAC1
SCHEMBL1767543 0.81 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTROCK2RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 US 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 (2 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885SMN1; SMN2 3581/4885HTT 2592/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885SMN1; SMN2 3581/4885HTT 2592/4885

“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.