SCHEMBL1767413

SCHEMBL1767413

COc1cccc(C(=O)Nc2cc(C(=O)NCc3ccccc3)ccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.61
ROCK1 Q13464 1/20 0.58
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
AURKA O14965 1/20 0.56
LOX P28300 2/20 0.56
LOXL2 Q9Y4K0 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
HPGDS O60760 1/20 0.53

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
SCHEMBL1767576 0.95 MMP13 (0.67) MMP13ROCK1KMT2AAURKALMNA
SCHEMBL1767497 0.90 NPC1 (0.60) KMT2AHTTLMNAHPGDSMN1; SMN2
SCHEMBL1767521 0.90 HDAC1 (0.62) MMP13KMT2AHTTLMNASMN1; SMN2
SCHEMBL1767513 0.87 HTT (0.61) ROCK1KMT2AHTTLMNASMN1; SMN2
SCHEMBL1767505 0.86 KDM4E (0.59) MMP13ROCK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2922655 0.86 MMP13 (0.81) MMP13KMT2AHTTAURKALMNA
SCHEMBL1767448 0.83 KDM5A (0.56) KMT2AHTTLOXLOXL2LMNA
SCHEMBL1767445 0.83 HPGD (0.64) KMT2AHTTLMNAHPGDSMN1; SMN2
SCHEMBL1767434 0.82 HDAC1 (0.60) KMT2AHTTLMNASMN1; SMN2MEN1
SCHEMBL1767562 0.82 ALDH1A1 (0.74) KMT2AHTTLMNASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102119152-B Organic compounds NOVARTIS AG 2014-07-02 CN claimed
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 MMP13 1303/4885ROCK1 4244/4885KMT2A 2098/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 MMP13 1303/4885ROCK1 4244/4885KMT2A 2098/4885

“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.