SCHEMBL1767543

SCHEMBL1767543

O=C(NCc1ccccc1)c1ccnc(NC(=O)c2cc(F)cc(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.51
EGLN1 Q9GZT9 1/20 0.49
KDM5A P29375 1/20 0.48
KDM4C Q9H3R0 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
AURKA O14965 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TSHR P16473 1/20 0.47
HPGDS O60760 3/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL1767448 0.92 KDM5A (0.56) SMN1; SMN2LMNAHTTALDH1A1KDM5A
SCHEMBL1767460 0.91 L3MBTL1 (0.56) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL1767398 0.91 AURKA (0.56) SMN1; SMN2LMNAHTTALDH1A1EGLN1
SCHEMBL1767513 0.89 HTT (0.61) SMN1; SMN2LMNAHTTALDH1A1KDM5A
SCHEMBL1767414 0.88 L3MBTL1 (0.60) SMN1; SMN2LMNAHTTALDH1A1L3MBTL1
SCHEMBL1767407 0.86 KDM5A (0.61) SMN1; SMN2LMNAHTTALDH1A1KDM5A
SCHEMBL1767447 0.85 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTALDH1A1HDAC2
SCHEMBL1767472 0.84 KDM1A (0.59) SMN1; SMN2LMNAHTTHDAC6ROCK2
SCHEMBL13574797 0.83 LMNA (0.55) SMN1; SMN2LMNAHTTHDAC2HDAC8
SCHEMBL28328415 0.83 ALDH1A1 (0.64) SMN1; SMN2LMNAALDH1A1HDAC2HDAC8

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 8 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-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.