SCHEMBL1767500

SCHEMBL1767500

O=C(CCc1ccccc1)Nc1cc(C(=O)NCc2ccccc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
SENP1 Q9P0U3 4/20 0.56
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PPARG P37231 1/20 0.54
CCKBR P32239 1/20 0.52
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 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
SCHEMBL3490414 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL3491650 0.86 RAB9A (0.61) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL29409190 0.86 RAB9A (0.61) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1767513 0.85 HTT (0.61) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1767495 0.82 LMNA (0.53) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL3493816 0.81 TDP1 (0.52) SMN1; SMN2LMNAHTTSENP1RAB9A
SCHEMBL13574797 0.80 LMNA (0.55) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1767543 0.80 SMN1; SMN2 (0.55) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1767460 0.80 L3MBTL1 (0.56) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL1767510 0.79 GSK3B (0.60) SMN1; SMN2LMNAHTTALDH1A1HPGD

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 9 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
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 CN disclosed
CN-102119152-A Organic compounds NOVARTIS AG 2011-07-06 CN 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
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO 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 SMN1; SMN2 3581/4885LMNA 2176/4885HTT 2592/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SMN1; SMN2 3581/4885LMNA 2176/4885HTT 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.