SCHEMBL29675365

SCHEMBL29675365

c1csc(-c2cccnc2-c2cccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CDK5 Q00535 2/20 0.44
TDO2 P48775 2/20 0.44
CDK5R1 Q15078 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 3/20 0.43
RPS6KB2 Q9UBS0 2/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TDP2 O95551 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
SCHEMBL4170768 1.00 CYP11B1 (0.48) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL30497068 0.98 CYP11B1 (0.47) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL28609066 0.87 CYP11B1 (0.40) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
Acetic Acid SCHEMBL28652614 0.86 TOP2A (0.44) CYP11B1CYP11B2PDE3BPDE3AALDH1A1
SCHEMBL31500784 0.84 SMN1; SMN2 (0.50) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL4611484 0.81 TOP2A (0.41) CYP11B1CYP11B2PDE3BPDE3AALDH1A1
SCHEMBL10823968 0.80 CYP11B1 (0.37) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6
SCHEMBL27331118 0.80 ALDH1A1 (0.50) CDK5CDK5R1PDE3BPDE3AALDH1A1
SCHEMBL1710161 0.80 TOP2A (0.40) CYP11B1CYP11B2PDE3BPDE3AALDH1A1
SCHEMBL14380313 0.79 CYP2E1 (0.42) CYP11B1CYP11B2CYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113260691-B Luminescent solar concentrator comprising dithienyl pyridine thiadiazole compound 艾尼股份公司 2024-02-09 CN disclosed
CN-113260691-B Luminescent solar concentrator comprising dithienyl pyridine thiadiazole compound 艾尼股份公司 2024-02-09 CN disclosed
US-20240049594-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME EMTIER CO., LTD. (KR) 2024-02-08 US disclosed
US-20240043371-A1 NOVEL SPIROFLUORENE COMPOUND AND ORGANIC LIGHTEMITTING DEVICE INCLUDING SAME EMTIER CO., LTD. (KR) 2024-02-08 US disclosed
CN-116982425-A Novel heterocyclic compound and organic light-emitting device comprising same 韩国深通新材料株式会社 2023-10-31 CN disclosed
CN-116874494-A Novel heterocyclic compound and organic electronic device comprising same 苏州深通新材料有限公司 2023-10-13 CN disclosed
CN-116762493-A Novel heterocyclic compound and organic light-emitting element comprising same 韩国深通新材料株式会社 2023-09-15 CN disclosed
CN-116761805-A Novel heterocyclic compound and organic light-emitting device comprising same 韩国深通新材料株式会社 2023-09-15 CN disclosed
CN-116670112-A Novel spirofluorene compound and organic light-emitting device comprising same 韩国深通新材料株式会社 2023-08-29 CN disclosed
CN-111373560-B Composition for organic electroluminescent device and hole injection layer material prepared from same 高丽大学教产学协力团世宗校区 2023-08-01 CN disclosed
WO-2022149757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 센텀머티리얼즈 2022-07-14 WO disclosed
WO-2022145806-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 센텀머티리얼즈 2022-07-07 WO disclosed
WO-2022131669-A1 NOVEL SPIROFLUORENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 센텀머티리얼즈 2022-06-23 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-20240049594-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME KLHDC2, PPOX, KCNJ2 CYP11B1 2380/4885CYP11B2 2042/4885CYP2E1 918/4885
US-20240043371-A1 NOVEL SPIROFLUORENE COMPOUND AND ORGANIC LIGHTEMITTING DEVICE INCLUDING SAME INMT, TRPA1, ICMT CYP11B1 1754/4885CYP11B2 1182/4885CYP2E1 447/4885

“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.