SCHEMBL7866239

SCHEMBL7866239

Clc1ccc2c(Br)csc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.47
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
BCKDK O14874 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MIF P14174 1/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL31457377 1.00 CYP2A6 (0.47) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL31234904 0.84 KDM4E (0.42) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL3682441 0.83 CYP2A6 (0.62) CYP2A6KEAP1NFE2L2SMN1; SMN2CA2
SCHEMBL5446885 0.80 CYP2A6 (0.50) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL30163349 0.80 CYP2A6 (0.48) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL25232594 0.77 CYP2A6 (0.46) CYP2A6CA2ALDH1A1MAPTMIF
SCHEMBL30445252 0.77 CYP2A6 (0.46) CYP2A6CA2ALDH1A1MAPTMIF
SCHEMBL20355163 0.77 CYP2A6 (0.46) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL31376347 0.77 CYP2A6 (0.46) CYP2A6KEAP1NFE2L2BCKDKMCL1
SCHEMBL2092747 0.77 CYP2A6 (0.71) CYP2A6KEAP1NFE2L2BCKDKMCL1

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-20240107871-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-03-28 US disclosed
US-11825733-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-11825733-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-11825733-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
CN-111434666-A Organic electroluminescent device and polycyclic compound for organic electroluminescent device 三星显示有限公司 2020-07-21 CN disclosed
US-20200227639-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-16 US disclosed
EP-3680244-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2020-07-15 EP disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed
WO-1999065492-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP 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-20240107871-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, LEF1, KCNC1 CYP2A6 2620/4885KEAP1 838/4885NFE2L2 160/4885
US-20200227639-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, LEF1, KCNC1 CYP2A6 2620/4885KEAP1 838/4885NFE2L2 160/4885
US-11825733-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SLC25A21, LEF1, KCNC1 CYP2A6 2620/4885KEAP1 838/4885NFE2L2 160/4885

“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.