SCHEMBL12414522

SCHEMBL12414522

c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4cccc5c4sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
APP P05067 2/20 0.38
GPR3 P46089 1/20 0.38
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPT P10636 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP14 Q460N5 1/20 0.33
PTPN1 P18031 2/20 0.33
RAB9A P51151 3/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL12414526 0.98 ALOX5 (0.40) ALOX5APPGPR3TNKSTNKS2
SCHEMBL12414530 0.98 ALOX5 (0.40) ALOX5APPGPR3TNKSTNKS2
SCHEMBL12414528 0.97 ALOX5 (0.41) ALOX5APPGPR3TNKSTNKS2
SCHEMBL26233618 0.97 ALOX5 (0.41) ALOX5APPGPR3TNKSTNKS2
SCHEMBL12414519 0.95 ALOX5 (0.40) ALOX5APPGPR3TNKSTNKS2
SCHEMBL12414517 0.95 ALOX5 (0.40) ALOX5APPGPR3TNKSTNKS2
SCHEMBL12414513 0.95 ALOX5 (0.40) ALOX5APPGPR3TNKSTNKS2
SCHEMBL15964350 0.95 ALOX5 (0.42) ALOX5APPGPR3TNKSTNKS2
SCHEMBL15964352 0.95 ALOX5 (0.42) ALOX5APPGPR3TNKSTNKS2
SCHEMBL14295385 0.95 ALOX5 (0.42) ALOX5APPGPR3TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8652653-B2 Hole transport materials having a sulfur-containing group UNIVERSAL DISPLAY CORPORATION (US) 2014-02-18 US disclosed
US-8652653-B2 Hole transport materials having a sulfur-containing group UNIVERSAL DISPLAY CORPORATION (US) 2014-02-18 US disclosed
EP-2628778-A1 Hole transport materials having a sulfur-containing group Universal Display Corporation (US) 2013-08-21 EP disclosed
EP-2321376-B1 HOLE TRANSPORT MATERIALS HAVING A SULFUR-CONTAINING GROUP UNIVERSAL DISPLAY CORP (US) 2013-06-19 EP disclosed
US-20110163302-A1 HOLE TRANSPORT MATERIALS HAVING A SULFUR-CONTAINING GROUP UNIVERSAL DISPLAY CORPORATION (US) 2011-07-07 US disclosed
US-20110163302-A1 HOLE TRANSPORT MATERIALS HAVING A SULFUR-CONTAINING GROUP UNIVERSAL DISPLAY CORPORATION (US) 2011-07-07 US disclosed
WO-2010002848-A1 HOLE TRANSPORT MATERIALS HAVING A SULFUR-CONTAINING GROUP UNIVERSAL DISPLAY CORPORATION (US) 2010-01-07 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-20110163302-A1 HOLE TRANSPORT MATERIALS HAVING A SULFUR-CONTAINING GROUP TST, SLC43A1, SLC6A4 ALOX5 3112/4885APP 2061/4885GPR3 3600/4885

“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.