SCHEMBL16159656

SCHEMBL16159656

c1ccc2c(-c3ccc(-c4cscn4)cc3)c3ccccc3c(-c3ccc(-c4cscn4)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.40
METAP1 P53582 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
FKBP1A P62942 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SCN9A Q15858 1/20 0.39
PARP1 P09874 1/20 0.38
CARM1 Q86X55 3/20 0.37

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
SCHEMBL16159140 0.98 METAP2 (0.39) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159517 0.91 NPC1 (0.41) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159565 0.87 SCN9A (0.39) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159430 0.87 SCN9A (0.39) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159503 0.85 SCN9A (0.42) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159471 0.85 SCN9A (0.42) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159698 0.84 SMN1; SMN2 (0.39) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL17704325 0.84 SCN9A (0.52) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159230 0.83 SCN9A (0.41) METAP2METAP1KDM4ECYP1A2CYP3A4
SCHEMBL16159395 0.82 SCN9A (0.51) METAP2METAP1KDM4ECYP1A2CYP3A4

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 METAP2 3917/4885METAP1 3540/4885KDM4E 629/4885

“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.