SCHEMBL1767562

SCHEMBL1767562

CS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)NCc3ccccc3)ccn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
GAA P10253 1/20 0.74
HSD17B10 Q99714 1/20 0.74
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.49
CHRM3 P20309 1/20 0.48
MAPT P10636 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4A O75164 1/20 0.48
KDM4B O94953 1/20 0.48
KDM5C P41229 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 0.86 HTT (0.61) ALDH1A1HTTLMNASMN1; SMN2POLB
SCHEMBL1767448 0.82 KDM5A (0.56) ALDH1A1GAAHTTLMNASMN1; SMN2
SCHEMBL1767413 0.82 MMP13 (0.61) ALDH1A1GAAHTTLMNASMN1; SMN2
SCHEMBL1767502 0.82 LMNA (0.59) HSD17B10HTTLMNASMN1; SMN2POLB
SCHEMBL1767434 0.81 HDAC1 (0.60) ALDH1A1HTTLMNASMN1; SMN2RAB9A
SCHEMBL27813603 0.81 SMN1; SMN2 (0.52) ALDH1A1GAAHSD17B10HTTLMNA
SCHEMBL1767572 0.80 TSHR (0.56) ALDH1A1HTTLMNASMN1; SMN2POLB
SCHEMBL1767368 0.79 NPC1 (0.59) ALDH1A1HTTLMNASMN1; SMN2POLB
SCHEMBL1767407 0.79 KDM5A (0.61) ALDH1A1HTTLMNASMN1; SMN2RAB9A
SCHEMBL1767414 0.79 L3MBTL1 (0.60) ALDH1A1HTTLMNASMN1; SMN2MEN1

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 ALDH1A1 451/4885GAA 556/4885HSD17B10 43/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885GAA 556/4885HSD17B10 43/4885

“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.