SCHEMBL2779567

SCHEMBL2779567

CN(c1ccccc1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CHKA P35790 1/20 0.35
NR3C2 P08235 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL14849207 0.86 MAPT (0.36) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL26099756 0.84 FBP1 (0.36) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL7955724 0.77 LTA4H (0.53) MEN1KMT2ANFKB1NFKB2RELA
SCHEMBL20386511 0.77 ALDH1A1 (0.39) TSHRMEN1KMT2AOPRM1OPRL1
SCHEMBL2681787 0.77 ALDH1A1 (0.39) TSHRMEN1KMT2AOPRM1OPRL1
SCHEMBL10042854 0.74 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL516394 0.74
SCHEMBL20385081 0.72 MEN1 (0.52) SMN1; SMN2HPGDMEN1KMT2AHTT
SCHEMBL22931682 0.72 MEN1 (0.52) SMN1; SMN2HPGDMEN1KMT2AHTT
Benzene SCHEMBL14537401 0.72 MEN1 (0.52) SMN1; SMN2HPGDMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309366-A1 COMPOUND, SENSOR, SENSOR EMBEDDED DISPLAY PANEL, AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-09-28 US disclosed
EP-3613504-A1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS Johnson Matthey Public Limited Company (GB) 2020-02-26 EP disclosed
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 EP disclosed
US-10167305-B2 Allyl complexes for use in coupling reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-01 US disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
US-20130165660-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-27 US disclosed
CN-103037969-A Complexes JOHNSON MATTHEY PLC 2013-04-10 CN disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed
EP-0977087-B1 Electrophotographic apparatus CANON KK (JP) 2007-12-12 EP disclosed
EP-1732923-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005099706-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-27 WO disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN 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 (3 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 NPC1 2862/4885RAB9A 2402/4885SMN1; SMN2 4042/4885
US-20230309366-A1 COMPOUND, SENSOR, SENSOR EMBEDDED DISPLAY PANEL, AND ELECTRONIC DEVICE ESR1, GPER1, ASIC1 NPC1 3774/4885RAB9A 1654/4885SMN1; SMN2 2007/4885
US-10167305-B2 Allyl complexes for use in coupling reactions AP3M1, AP1M1, C9 NPC1 1817/4885RAB9A 2029/4885SMN1; SMN2 3644/4885

“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.