SCHEMBL126373

SCHEMBL126373

[C-]#[N+]c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc(C#N)c5)ccc5ccc2c3c54)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.34
KCNA5 P22460 1/20 0.34
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL125710 0.96 ENPP2 (0.31)
SCHEMBL12575588 0.92 MEN1 (0.31) MAPTALDH1A1MEN1LMNACYP1A2
SCHEMBL13004414 0.91 KCNN4 (0.32) KCNN4KCNA5MAPTALDH1A1MEN1
SCHEMBL13004383 0.91 KCNN4 (0.32) KCNN4KCNA5MAPTALDH1A1MEN1
SCHEMBL13004399 0.89 KCNN4 (0.33) KCNN4KCNA5MAPT
SCHEMBL179173 0.89 KCNA5 (0.40) KCNN4KCNA5MAPTALDH1A1MEN1
SCHEMBL20779829 0.89 KCNA5 (0.40) KCNN4KCNA5MAPTALDH1A1MEN1
SCHEMBL13004422 0.89
SCHEMBL12575751 0.87
SCHEMBL13004406 0.87 KCNN4 (0.30) KCNN4KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-09-07 US disclosed
US-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-06-08 US disclosed
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-01-05 US disclosed
US-20140346406-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT COMPOUNDS ROHM & HAAS ELECT MAT (KR) 2014-11-27 US disclosed
US-20120056165-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-03-08 US disclosed
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 US 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 (4 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-20170162801-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SLC9B2, SLC26A3 KCNN4 96/4885KCNA5 592/4885MAPT 2616/4885
US-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 KCNN4 1337/4885KCNA5 2388/4885MAPT 2523/4885
US-20170256722-A1 A HOLE TRANSPORT MATERIAL AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME HTT, VDAC1, VAPA KCNN4 59/4885KCNA5 292/4885MAPT 482/4885
US-20170005276-A1 ELECTRON BUFFERING MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC9A2, SOD1, SLC9B2 KCNN4 54/4885KCNA5 1060/4885MAPT 2194/4885

“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.