SCHEMBL1767445

SCHEMBL1767445

COc1ccccc1C(=O)Nc1cc(C(=O)NCc2ccccc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.64
TP53 P04637 2/20 0.64
GLA P06280 1/20 0.64
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
LMNA P02545 4/20 0.57
HTT P42858 2/20 0.57
KDM1A O60341 1/20 0.54
HDAC1 Q13547 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
UBE2N P61088 1/20 0.53
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL1767497 0.83 NPC1 (0.60) HPGDTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1767447 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AGAALMNA
SCHEMBL1767413 0.83 MMP13 (0.61) HPGDPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL1767513 0.82 HTT (0.61) POLBSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1767538 0.82 NPC1 (0.62) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL1767439 0.81 MAPT (0.69) HPGDTP53POLBGAALMNA
SCHEMBL1767521 0.81 HDAC1 (0.62) TP53SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL12648679 0.80 HTT (0.54) HPGDSMN1; SMN2LMNAHTTKDM1A
SCHEMBL1767434 0.80 HDAC1 (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL1767460 0.80 L3MBTL1 (0.56) SMN1; SMN2KMT2ANPC1RAB9ALMNA

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 HPGD 344/4885TP53 4010/4885GLA 768/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 HPGD 344/4885TP53 4010/4885GLA 768/4885

“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.