SCHEMBL363695

SCHEMBL363695

Brc1cccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccccc4)c3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
BIRC5 O15392 1/20 0.50
TP53 P04637 1/20 0.50
AHR P35869 1/20 0.46
GP6 Q9HCN6 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.45

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
SCHEMBL20623762 0.98 NPC1 (0.56) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31039928 0.98 NPC1 (0.56) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31678592 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL21382857 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31577391 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL24735780 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL22963644 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL21383192 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31577395 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1
SCHEMBL31683827 0.96 NPC1 (0.54) RAB9ANPC1TSHRSMN1; SMN2ALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021128764-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-01 WO disclosed
WO-2021066397-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-04-08 WO disclosed
WO-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 WO disclosed
EP-2787053-B1 Polymeric materials MERCK PATENT GMBH (DE) 2018-11-21 EP disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 US disclosed
EP-2627732-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
EP-2627732-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
US-9478762-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-9478762-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-9478762-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-10-25 US disclosed
US-20130187096-A1 POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-07-25 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
US-20130112921-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-05-09 US disclosed
WO-2012084114-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-06-28 WO disclosed
WO-2012084114-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-06-28 WO disclosed
WO-2012048900-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) 2012-04-19 WO disclosed
WO-2012007102-A1 POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
WO-2012007102-A1 POLYMER MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
WO-2012007087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-01-19 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 (2 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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same IDO1, IDO2, KYNU RAB9A 2412/4885NPC1 2684/4885TSHR 3344/4885
US-20130112921-A1 METAL COMPLEXES MCOLN2, MCOLN1, NCLN RAB9A 2274/4885NPC1 3691/4885TSHR 4843/4885

“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.