SCHEMBL16159692

SCHEMBL16159692

c1cc(-c2ccc3cc(-c4cccc(-c5nccs5)n4)ccc3c2)nc(-c2nccs2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
SYK P43405 8/20 0.48
HSP90AA1 P07900 1/20 0.47
PDPK1 O15530 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
SRC P12931 3/20 0.44
ZAP70 P43403 3/20 0.44
CDK2 P24941 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.42
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL17704348 0.89 RAB9A (0.51) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL4902877 0.86 RAB9A (0.61) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL17704347 0.84 RAB9A (0.48) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL16159716 0.81 PDPK1 (0.49) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL16159436 0.81 RAB9A (0.41) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL13142475 0.80 PDPK1 (0.57) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL17704407 0.80 RAB9A (0.41) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL16159718 0.80 RAB9A (0.47) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL16159315 0.79 PDPK1 (0.58) RAB9ASYKHSP90AA1PDPK1LOXL2
SCHEMBL16159447 0.79 RAB9A (0.43) RAB9ASYKHSP90AA1PDPK1LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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 (1 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 RAB9A 3067/4885SYK 4627/4885HSP90AA1 4394/4885

“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.