SCHEMBL1767522

SCHEMBL1767522

O=C(NNC(=O)c1ccnc(NC(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 5/20 0.61
ATM Q13315 1/20 0.59
JAK2 O60674 1/20 0.56
TYK2 P29597 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KCNK3 O14649 1/20 0.50
HCAR3 P49019 1/20 0.50
MAPT P10636 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL1569099 0.89 RAB9A (0.62) RAB9ANPC1ATMJAK2TYK2
SCHEMBL29409167 0.89 RAB9A (0.62) RAB9ANPC1ATMJAK2TYK2
SCHEMBL21867436 0.88 SMN1; SMN2 (0.68) RAB9ANPC1ATMKMT2AMEN1
SCHEMBL1767860 0.88 KMT2A (0.62) RAB9ANPC1ATMJAK2TYK2
SCHEMBL7669653 0.87 RAB9A (0.64) RAB9ANPC1ATMJAK2TYK2
SCHEMBL21867435 0.83 RAB9A (0.60) RAB9ANPC1ATMJAK2TYK2
SCHEMBL1767493 0.83 HDAC1 (0.68) RAB9ANPC1ATMHDAC6
SCHEMBL1767513 0.83 HTT (0.61) RAB9ANPC1KMT2AMEN1KDM4E
SCHEMBL24349065 0.81 RAB9A (0.61) RAB9ANPC1ATMJAK2TYK2
SCHEMBL17065565 0.81 NPC1 (0.89) RAB9ANPC1ATMKMT2AMEN1

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 RAB9A 4305/4885NPC1 228/4885ATM 4643/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 RAB9A 4305/4885NPC1 228/4885ATM 4643/4885

“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.