SCHEMBL6516685

SCHEMBL6516685

Cc1nccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 2/20 0.42
AKT2 P31751 1/20 0.42
BRD2 P25440 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CDK8 P49336 2/20 0.42
ACVR1 Q04771 2/20 0.42
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42

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
Bromide SCHEMBL28797051 0.98 CHEK1 (0.45) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL30103653 0.86 CHEK1 (0.39) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7459372 0.82 CHEK1 (0.45) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL440463 0.82 USP7 (0.50) MEN1KMT2ARPS6KA3GAA
SCHEMBL27564359 0.81 NPC1 (0.46) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10199428 0.81 GRM4 (0.58) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28149918 0.78 ASIC3 (0.60) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28491380 0.78 NPC1 (0.44) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9678957 0.78 NPC1 (0.47) CHEK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL25696391 0.78 CHEK1 (0.45) CHEK1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117599851-A Novel catalyst for synthesizing p-aminophenol by catalytic hydrogenation of nitrobenzene, preparation method and application thereof 南京大学 2024-02-27 CN claimed
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
CN-117616909-A Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation 出光兴产株式会社 2024-02-27 CN disclosed
CN-117599851-A Novel catalyst for synthesizing p-aminophenol by catalytic hydrogenation of nitrobenzene, preparation method and application thereof 南京大学 2024-02-27 CN disclosed
CN-117581654-A Mixed powder, mixed body, and method for manufacturing organic electroluminescent element 出光兴产株式会社 2024-02-20 CN disclosed
US-10454042-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2019-10-22 US disclosed
US-9287515-B2 Compositions comprising organic and organometallic compounds, and their applications in organic electroluminescence, light emission, display, and illumination devices UDC Ireland (IE) 2016-03-15 US disclosed
EP-1956022-B1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL CO (JP) 2012-07-25 EP disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153272-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-7993760-B2 Compound for use in organic electroluminescent device and organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-08-09 US disclosed
US-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1956022-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Nippon Steel Chemical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2005070457-A1 MELPHALAN PRODRUGS SEATTLE GENETICS, INC. (US) 2005-08-04 WO disclosed
US-4656299-A FROM AN ALKYNE AND A NITRILE DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-04-07 US disclosed
US-4116963-A ANTIDIARRHEAL, CENTRAL NERVOUS SYSTEM PROPERTIES G.D. SEARLE & CO. (US) 1978-09-26 US disclosed
US-4072686-A ANTIDIARRHEAL G. D. SEARLE & CO. (US) 1978-02-07 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 (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-20090302742-A1 Compound for Use in Organic Electroluminescent Device and Organic Electroluminescent Device LAGE3, ICMT, PPOX CHEK1 3120/4885NPC1 4722/4885RAB9A 2408/4885
US-10454042-B2 Organic electroluminescence device EML4, ELOC, ORC3 CHEK1 1650/4885NPC1 4077/4885RAB9A 3982/4885

“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.