SCHEMBL29429796

SCHEMBL29429796

COc1ccc2nc(SCc3ccc(C)cc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 19/20 1.00
CYP2C8 P10632 19/20 1.00
CYP2D6 P10635 19/20 1.00
CYP2C9 P11712 19/20 1.00
CYP2B6 P20813 19/20 1.00
CYP2C19 P33261 19/20 1.00
CYP3A4 P08684 18/20 1.00
CYP1A2 P05177 17/20 1.00
BRS3 P32247 1/20 0.77
MEN1 O00255 1/20 0.67
NPC1 O15118 1/20 0.67
NFKB1 P19838 1/20 0.67
RAB9A P51151 1/20 0.67
NFKB2 Q00653 1/20 0.67
KMT2A Q03164 1/20 0.67
RELA Q04206 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL4650010 0.88 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL8277910 0.85 CYP2E1 (0.74) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693609 0.85 CYP2D6 (0.73) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL2734131 0.84 CYP2E1 (1.00) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL1064755 0.83 CYP2E1 (0.82) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693657 0.83 CYP2E1 (0.71) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693611 0.83 RAB9A (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Bromide SCHEMBL1064752 0.83 CYP2E1 (0.80) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6481746 0.81 CYP2E1 (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL15693642 0.81 RAB9A (0.76) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118739252-B Grid-connected simulation model of electrochemical energy storage power station and construction method thereof 国网甘肃省电力公司 2025-04-08 CN claimed
CN-119086900-A Based on m7G RNA methylation and copper death related protein lung adenocarcinoma diagnosis marker and screening method thereof 上海市胸科医院 2024-12-06 CN claimed
CN-118983881-A Control method of grid-built inverter with signal-to-signal transmission function 龙源(北京)新能源工程技术有限公司 2024-11-19 CN claimed
US-12129274-B2 Modular synthesis of aminoglycosides REVAGENIX, INC. (US) 2024-10-29 US claimed
CN-118739252-A Grid-connected simulation model of electrochemical energy storage power station and construction method thereof 国网甘肃省电力公司 2024-10-01 CN claimed
US-20230167148-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES REVAGENIX, INC. 2023-06-01 US claimed
CN-111511406-B Challenge test for diagnosing autism spectrum disease subtypes 斯大利卡拉公司 2023-04-28 CN claimed
US-20220411456-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES REVAGENIX, INC. (US) 2022-12-29 US claimed
CN-112448807-B Conservative digital chaos-based OFDM-PON physical layer encryption method for three-dimensional Arnold transformation 杭州电子科技大学 2022-06-10 CN claimed
CN-114240012-A Method for calculating optimal energy flow of comprehensive energy distribution system 国网山西省电力公司经济技术研究院 2022-03-25 CN claimed
CN-122006607-A Natural plant compound microcapsule for aquatic product transportation and keep-alive and application thereof 泰山学院 2026-05-12 CN disclosed
US-20260124309-A1 STAT6 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-05-07 US disclosed
US-20260116957-A1 PHARMACEUTICAL COMPOSITION FOR AMELIORATING ACUTE LUNG INJURY AND ACUTE WORSENING OF PULMONARY FIBROSIS UNIV MIE (JP) 2026-04-30 US disclosed
US-12599593-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers BIOMED VALLEY DISCOVERIES, INC. (US) 2026-04-14 US disclosed
CN-114240012-A Method for calculating optimal energy flow of comprehensive energy distribution system 国网山西省电力公司经济技术研究院 2022-03-25 CN disclosed
CN-114214418-A Biomarker for evaluating sensitivity of lung cancer patient to proton radiotherapy and application thereof 上海交通大学医学院附属第九人民医院 2022-03-22 CN disclosed
US-11281857-B1 Composite slot type resolution AMAZON TECHNOLOGIES, INC. (US) 2022-03-22 US disclosed
US-11274078-B2 Drug for treating tumor diseases and having antibacterial antivirus anti-inflammatory effects SHI JIANYOU (CN) 2022-03-15 US disclosed
US-20220073788-A1 Adhesive-Backed Composite Film 3M INNOVATIVE PROPERTIES COMPANY 2022-03-10 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 (8 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-20260125400-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, CSNK2A1, CSNK2A2 CYP2E1 494/4885CYP2C8 988/4885CYP2D6 439/4885
US-20260124309-A1 STAT6 DEGRADERS AND USES THEREOF STAT6, NCOR2, NCOR1 CYP2E1 310/4885CYP2C8 976/4885CYP2D6 527/4885
US-11274078-B2 Drug for treating tumor diseases and having antibacterial antivirus anti-inflammatory effects NFKBIA, TNF, CHUK CYP2E1 2386/4885CYP2C8 800/4885CYP2D6 1920/4885
US-12129274-B2 Modular synthesis of aminoglycosides MRPL21, COASY, AARS1 CYP2E1 4209/4885CYP2C8 2291/4885CYP2D6 2021/4885
US-20230167148-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES MRPL21, COASY, AARS1 CYP2E1 4209/4885CYP2C8 2291/4885CYP2D6 2021/4885
US-20220411456-A1 MODULAR SYNTHESIS OF AMINOGLYCOSIDES MRPL21, COASY, AARS1 CYP2E1 4209/4885CYP2C8 2291/4885CYP2D6 2021/4885
US-12599593-B2 Methods and compositions for treating non-ERK MAPK pathway inhibitor-resistant cancers MOK, TTK, MAPK4 CYP2E1 3779/4885CYP2C8 3341/4885CYP2D6 3682/4885
US-20260116957-A1 PHARMACEUTICAL COMPOSITION FOR AMELIORATING ACUTE LUNG INJURY AND ACUTE WORSENING OF PULMONARY FIBROSIS FIBP, VIP, VSIG8 CYP2E1 4538/4885CYP2C8 3824/4885CYP2D6 3826/4885

“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.