SCHEMBL29351112

SCHEMBL29351112

O=S(=O)(c1cccc2c(I)cccc12)N1CCCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 1.00
CYP3A4 P08684 5/20 1.00
CYP2D6 P10635 3/20 1.00
MYLK Q15746 3/20 1.00
NFKB1 P19838 3/20 1.00
CYP1A2 P05177 3/20 1.00
TSHR P16473 3/20 1.00
TP53 P04637 2/20 1.00
CYP2C19 P33261 2/20 1.00
MTOR P42345 1/20 1.00
RAB9A P51151 1/20 1.00
LMNA P02545 3/20 0.97
GMNN O75496 2/20 0.97
NPSR1 Q6W5P4 1/20 0.97
KMT2A Q03164 6/20 0.74
MEN1 O00255 4/20 0.74
MAPK1 P28482 2/20 0.74
CYP2C9 P11712 1/20 0.74
ROCK2 O75116 6/20 0.73
PRKACA P17612 3/20 0.73

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
SCHEMBL1271163 1.00 ROCK1 (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydrochloric Acid SCHEMBL30237215 0.99 LMNA (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydrochloric Acid SCHEMBL29651499 0.99 LMNA (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydrochloric Acid SCHEMBL3691324 0.99 LMNA (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydrochloric Acid SCHEMBL1981350 0.97 ROCK1 (0.95) ROCK1CYP3A4CYP2D6MYLKNFKB1
SCHEMBL2869228 0.85 CYP3A4 (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydroxyfasudil SCHEMBL123699 0.84 ROCK2 (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydroxyfasudil SCHEMBL29395466 0.84 ROCK2 (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1
SCHEMBL16613226 0.84 KMT2A (0.74) ROCK1CYP3A4CYP2D6MYLKNFKB1
Hydrochloric Acid SCHEMBL1848494 0.84 MAPK1 (1.00) ROCK1CYP3A4CYP2D6MYLKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121574883-A Microbial preparation for straw decomposition and soil nutrient improvement and application thereof 山东农业大学 2026-02-27 CN claimed
US-12533359-B2 Method for preventing hair loss ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2026-01-27 US claimed
US-20260021190-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A PENTA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2026-01-22 US claimed
US-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS FUNDACIÓ INSTITUT DE RECERCA DE L'HOSPITAL DE LA SANTA CREU I SANT PAU (ES) 2025-10-09 US claimed
US-12427187-B2 Glucose-responsive insulin conjugates MERCK SHARP & DOHME LLC (US) 2025-09-30 US claimed
EP-4615487-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A PENTA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES Merck Sharp & Dohme LLC (US) 2025-09-17 EP claimed
EP-4615506-A1 USE OF GSK-3 ACTIVATIOR TO MODULATE PROTEASOME ACTIVITY TO PREVENT AGEING ASSOCIATED CONDITIONS AND DISEASES Sahin, Fikret (TR) 2025-09-17 EP claimed
WO-2025118708-A1 NUCLEIC ACID EXTRACTION METHOD FOR ENGINEERED CELL 上海药明巨诺生物医药研发有限公司 2025-06-12 WO claimed
US-20250163388-A1 METHODS FOR DERIVATION AND PROPAGATION OF AVIAN PLURIPOTENT STEM CELLS AND APPLICATIONS THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2025-05-22 US claimed
CN-119913142-A Composite microbial inoculum and preparation method and application thereof 北京氢环能源技术有限公司 2025-05-02 CN claimed
CN-116297937-A Method for detecting residual quantity of methyl sulfamate 浙江国邦药业有限公司 2023-06-23 CN claimed
CN-116234911-A Chimeric antigen receptor specifically binding MSLN and application thereof 成都科伦精准生物科技有限公司 2023-06-06 CN claimed
WO-2023091441-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A TETRA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES MERCK SHARP & DOHME LLC (US) 2023-05-25 WO claimed
WO-2022191812-A1 METHOD OF FACILITATING WOUND-INDUCED HAIR FOLLICLE NEOGENESIS, TISSUE REGENERATION AND REDUCING WOUND STIFFNESS NATIONAL CHENG KUNG UNIVERSITY (TW) 2022-09-15 WO claimed
US-20220273770-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2022-09-01 US claimed
US-20220249509-A1 METHOD FOR PREVENTING HAIR LOSS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-08-11 US claimed
US-20220233647-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2022-07-28 US claimed
EP-4003405-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES Merck Sharp & Dohme Corp. (US) 2022-06-01 EP claimed
EP-3993764-A1 METHOD FOR PREVENTING HAIR LOSS Icahn School of Medicine at Mount Sinai (US) 2022-05-11 EP claimed
EP-3980052-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2022-04-13 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS RHOA, MYLK2, MYLK ROCK1 4/4885CYP3A4 4737/4885CYP2D6 4664/4885
US-12427187-B2 Glucose-responsive insulin conjugates GPR119, IRS1, INSR ROCK1 3400/4885CYP3A4 2303/4885CYP2D6 1763/4885
US-20220233647-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES GPR119, IRS1, INSR ROCK1 3400/4885CYP3A4 2303/4885CYP2D6 1763/4885
US-20260021190-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES COMPRISING A PENTA-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES INSR, GPR119, GLP1R ROCK1 2960/4885CYP3A4 611/4885CYP2D6 325/4885
US-20220273770-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES IRS1, GPR119, INSR ROCK1 2566/4885CYP3A4 2224/4885CYP2D6 1180/4885
US-12533359-B2 Method for preventing hair loss MYLK, MYLK3, MYLK2 ROCK1 1070/4885CYP3A4 1847/4885CYP2D6 1337/4885
US-20220249509-A1 METHOD FOR PREVENTING HAIR LOSS MYLK3, MYLK4, MYLK ROCK1 34/4885CYP3A4 4728/4885CYP2D6 4103/4885

“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.