SCHEMBL1767412

SCHEMBL1767412

O=C(NCc1cc(Cl)cc(Cl)c1)c1ccnc(NC(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
TYK2 P29597 1/20 0.50
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
WDR5 P61964 1/20 0.48
NAMPT P43490 2/20 0.46
TSHR P16473 1/20 0.46
KDM1A O60341 1/20 0.46
HDAC1 Q13547 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PPARG P37231 1/20 0.46

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
SCHEMBL1767572 0.92 TSHR (0.56) JAK2TYK2NPC1SMN1; SMN2RAB9A
SCHEMBL1767368 0.91 NPC1 (0.59) JAK2TYK2NPC1SMN1; SMN2RAB9A
SCHEMBL1767513 0.89 HTT (0.61) NPC1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1767398 0.86 AURKA (0.56) JAK2TYK2NPC1SMN1; SMN2RAB9A
SCHEMBL1767414 0.83 L3MBTL1 (0.60) SMN1; SMN2HTTLMNAALDH1A1ALOX12
SCHEMBL1767801 0.83 SMN1; SMN2 (0.67) JAK2TYK2SMN1; SMN2LMNAALDH1A1
SCHEMBL1767434 0.83 HDAC1 (0.60) NPC1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL29941278 0.83 ERCC1 (0.59) NPC1SMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL1767426 0.82 KDM5B (0.60) NPC1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL1767475 0.81 KDM1A (0.62) NPC1SMN1; SMN2RAB9AHTTLMNA

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 JAK2 4383/4885TYK2 4187/4885NPC1 228/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 JAK2 4383/4885TYK2 4187/4885NPC1 228/4885

“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.