SCHEMBL1767538

SCHEMBL1767538

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2cccc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.62
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NSD2 O96028 1/20 0.52
SENP1 Q9P0U3 1/20 0.47

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
SCHEMBL1767447 0.85 SMN1; SMN2 (0.54) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL1767513 0.84 HTT (0.61) NPC1RAB9APOLBKMT2AHTT
SCHEMBL12648679 0.82 HTT (0.54) HTTLMNASMN1; SMN2HDAC2HDAC8
SCHEMBL1767445 0.82 HPGD (0.64) NPC1RAB9APOLBKMT2AHTT
SCHEMBL1767448 0.81 KDM5A (0.56) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL1767543 0.79 SMN1; SMN2 (0.55) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL13574797 0.79 LMNA (0.55) NPC1RAB9AHTTLMNASMN1; SMN2
SCHEMBL1767460 0.79 L3MBTL1 (0.56) NPC1RAB9AKMT2AHTTLMNA
SCHEMBL27813603 0.79 SMN1; SMN2 (0.52) NPC1RAB9APOLBKMT2AHTT
SCHEMBL27903143 0.78 HDAC2 (0.73) KMT2ALMNAHDAC2HDAC8HDAC6

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 NPC1 228/4885RAB9A 4305/4885POLB 2337/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 NPC1 228/4885RAB9A 4305/4885POLB 2337/4885

“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.