SCHEMBL15739360

SCHEMBL15739360

Brc1ccc2c(c1)c1ccc3ccccc3c1n2-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
CYP2D6 P10635 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
GSR P00390 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL2019199 0.89 TDP1 (0.40) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL15739430 0.88 TDP1 (0.38) TDP1GSK3AGSK3BCYP1A2CYP2C9
SCHEMBL22136743 0.87 PTGES (0.36) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL15739319 0.87 TDP1 (0.37) TDP1GSK3AGSK3BCYP1A2CYP2C9
SCHEMBL29476073 0.86 TSPO (0.41) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL490271 0.86 TSPO (0.41) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL12126569 0.85 L3MBTL1 (0.41) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL20465300 0.83 CYP2A6 (0.41) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL22961223 0.83 MEN1 (0.38) TDP1CYP2A6MEN1KMT2ARXFP1
SCHEMBL19213874 0.83 CYP2A6 (0.43) CYP2A6MEN1KMT2ARXFP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-9515269-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
US-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-10-06 US disclosed
WO-2014077558-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE FOR SAME 덕산하이메탈(주) (KR) 2014-05-22 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-20160293846-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 TDP1 2156/4885CYP2A6 2749/4885MEN1 1254/4885

“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.