SCHEMBL1271163

SCHEMBL1271163

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
SCHEMBL29351112 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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350313-B1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE TECH AND RESEARCH ASTARSTAR (SG) 2025-11-26 EP claimed
EP-3350313-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS Agency For Science, Technology And Research (A*star) (SG) 2018-07-25 EP claimed
WO-2017048193-A1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2017-03-23 WO claimed
EP-3022187-A1 METHOD FOR PRODUCING A 1-(5-HALONAPHTHALENE-1-SULFONYL)-1H-HEXAHYDRO-1,4-DIAZEPINE AND COMPOSITION COMPRISING SAME Neuroptis Biotech (FR) 2016-05-25 EP claimed
WO-2015007896-A1 METHOD FOR PRODUCING A 1-(5-HALONAPHTHALENE-1-SULFONYL)-1H-HEXAHYDRO-1,4-DIAZEPINE AND COMPOSITION COMPRISING SAME NEUROPTIS BIOTECH (FR) 2015-01-22 WO claimed
US-8273708-B2 Regulation of paracellular permeability of the ocular surface epithelium, corresponding to the anterior segment of the eye; modulating the opening of tight junctions of the ocular epithelium; keratitis, conjunctivitis and dry eye syndrome NEUROPTIS BIOTECH (FR) 2012-09-25 US claimed
US-20110223177-A1 TREATMENT OF FIBROTIC EYE DISORDERS UNIVERSITY OF EAST ANGLIA (GB) 2011-09-15 US claimed
EP-2323637-A1 TREATMENT OF FIBROTIC EYE DISORDERS University of East Anglia (GB) 2011-05-25 EP claimed
WO-2010029350-A1 TREATMENT OF FIBROTIC EYE DISORDERS UNIVERSITY OF EAST ANGLIA (GB) 2010-03-18 WO claimed
US-7452877-B2 Methods for treating digestive functional pathologies RYTEK (FR) 2008-11-18 US claimed
US-20060194769-A1 Small molecules that reduce fungal growth UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-31 US claimed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO claimed
EP-3350313-B1 DERIVATION OF LIVER ORGANOIDS FROM HUMAN PLURIPOTENT STEM CELLS AGENCY FOR SCIENCE TECH AND RESEARCH ASTARSTAR (SG) 2025-11-26 EP disclosed
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 disclosed
US-20240352418-A1 METHOD FOR PRODUCING MULTINUCLEATED MEGAKARYOCYTE WITH ENHANCED PLATELET PRODUCTION CAPABILITY, METHOD FOR PRODUCING PLATELETS, METHOD FOR PRODUCING PLATELET PREPARATION, AND METHOD FOR PRODUCING BLOOD PREPARATION MEGAKARYON CORPORATION (JP) 2024-10-24 US disclosed
EP-4342982-A1 METHOD FOR PRODUCING MULTINUCLEATED MEGAKARYOCYTE WITH ENHANCED PLATELET PRODUCTION CAPABILITY, METHOD FOR PRODUCING PLATELETS, METHOD FOR PRODUCING PLATELET PREPARATION, AND METHOD FOR PRODUCING BLOOD PREPARATION Megakaryon Corporation (JP) 2024-03-27 EP disclosed
US-5561140-A IMMUNOSUPPRESSANTS; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1996-10-01 US disclosed
US-5530119-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-25 US disclosed
EP-0690713-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
WO-1994021254-A1 SUBSTITUTED ALICYCLIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 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-20250312332-A1 TREATMENT OF MUSCLE FIBROSIS RHOA, MYLK2, MYLK ROCK1 4/4885CYP3A4 4737/4885CYP2D6 4664/4885
US-20060194769-A1 Small molecules that reduce fungal growth ERG28, DPM1, CYP51A1 ROCK1 2407/4885CYP3A4 3610/4885CYP2D6 3828/4885

“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.