SCHEMBL29707486

SCHEMBL29707486

Cc1cc(C)c(CN)cn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.52
NOS3 P29474 3/20 0.45
NOS1 P29475 3/20 0.45
NOS2 P35228 3/20 0.45
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.36
SLC6A4 P31645 8/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A3 Q01959 6/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CYP2E1 P05181 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G7 Q13093 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
SCHEMBL317221 1.00 UHRF1 (0.52) UHRF1NOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL29505702 0.98 UHRF1 (0.50) UHRF1NOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL18765302 0.98 UHRF1 (0.50) UHRF1NOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL5010733 0.98 UHRF1 (0.50) UHRF1NOS3NOS1NOS2KDM4E
Formaldehyde SCHEMBL28853991 0.94 UHRF1 (0.47) UHRF1NOS3NOS1NOS2KDM4E
SCHEMBL11616480 0.82 UHRF1 (0.46) UHRF1NOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL2750563 0.80 UHRF1 (0.45) UHRF1NOS3NOS1NOS2KDM4E
SCHEMBL554353 0.80 NOS3 (0.70) UHRF1NOS3NOS1NOS2KDM4E
SCHEMBL19413769 0.80 UHRF1 (0.45) UHRF1NOS3NOS1NOS2SLC6A4
SCHEMBL28198255 0.80 UHRF1 (0.50) UHRF1NOS3NOS1NOS2KDM4E

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-120136863-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-06-13 CN disclosed
CN-120025328-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 CN disclosed
CN-120025327-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 CN disclosed
US-20250066353-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS INC (US) 2025-02-27 US disclosed
CN-114929694-B Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-02-07 CN disclosed
CN-112204006-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-11-28 CN disclosed
CN-116813621-A 9H purine compounds, pharmaceutical composition and application thereof 江南大学 2023-09-29 CN disclosed
CN-114621191-B EZH2 inhibitor and preparation and application thereof 东南大学 2023-08-15 CN disclosed
EP-4175954-A1 COMBINATION OF AN ALPHA2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONIST WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA Bayer Aktiengesellschaft (DE) 2023-05-10 EP disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed
CN-114929694-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2022-08-19 CN disclosed
EP-4021905-A1 INHIBITORS OF ADRENORECEPTOR ADRAC2 Bayer Aktiengesellschaft (DE) 2022-07-06 EP disclosed
CN-114621191-A EZH2 inhibitor and preparation and application thereof 东南大学 2022-06-14 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 (1 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-20250066353-A1 VANIN-1 INHIBITORS VCAM1, TMBIM6, VNN1 UHRF1 1319/4885NOS3 2266/4885NOS1 1451/4885

“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.