SCHEMBL2742929

SCHEMBL2742929

CN(c1ccccc1)c1cc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2A6 P11509 4/20 0.40
APP P05067 2/20 0.40
ADRB2 P07550 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MGLL Q99685 1/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 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
SCHEMBL28400418 0.88 OPRM1 (0.40) BCL2L1CYP2A6APPADRB2ASIC3
SCHEMBL8056756 0.86 SLC6A2 (0.39) NPC1TP53HPGDNFKB1RAB9A
Hydrochloric Acid SCHEMBL8050747 0.85 SLC6A2 (0.38) NPC1RAB9ACYP2A6APPADRB2
SCHEMBL28480648 0.81 BCL2L1 (0.44) BCL2L1CYP2A6APPADRB2ASIC3
SCHEMBL1254282 0.80 CYP2A6 (0.44) BCL2L1CYP2A6APPADRB2ASIC3
SCHEMBL2742932 0.80 APP (0.58) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL12249572 0.75 APP (0.57) NPC1TP53HPGDNFKB1RAB9A
SCHEMBL24083318 0.75 APP (0.53) NPC1TP53HPGDNFKB1RAB9A
Trimethylammonium SCHEMBL11529523 0.72 APP (0.62) BCL2L1APPCA2CA1CA9
SCHEMBL11161131 0.72 SLC6A2 (0.35) CYP2A6ADRB2MGLLADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588527-B1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL IND LTD (JP) 2017-10-25 EP disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-20170186953-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-29 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8815639-B2 Hole transport compositions and related devices and methods (II) SOLVAY USA, INC. (US) 2014-08-26 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-8535974-B2 Hole transport compositions and related devices and methods (II) PLEXTRONICS, INC. (US) 2013-09-17 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120003790-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AMD METHODS (II) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 US disclosed
WO-2012003485-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. (US) 2012-01-05 WO disclosed
WO-2012003482-A2 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) PLEXTRONICS, INC. (US) 2012-01-05 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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 BCL2L1 1924/4885NPC1 20/4885TP53 4548/4885

“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.