SCHEMBL2869228

SCHEMBL2869228

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
KMT2A Q03164 4/20 1.00
MAPK1 P28482 3/20 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
MEN1 O00255 3/20 1.00
TP53 P04637 2/20 1.00
CYP2C9 P11712 1/20 1.00
LMNA P02545 3/20 0.97
MAPT P10636 3/20 0.97
GMNN O75496 2/20 0.97
PMP22 Q01453 1/20 0.97
ROCK1 Q13464 5/20 0.74
TSHR P16473 3/20 0.74
CYP2C19 P33261 2/20 0.74
MTOR P42345 1/20 0.74
RAB9A P51151 1/20 0.74
NPSR1 Q6W5P4 1/20 0.72

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
Hydrochloric Acid SCHEMBL29370764 0.99 MAPK1 (1.00) CYP3A4KMT2AMAPK1CYP2D6MYLK
Hydrochloric Acid SCHEMBL1848494 0.99 MAPK1 (1.00) CYP3A4KMT2AMAPK1CYP2D6MYLK
Hydrochloric Acid SCHEMBL1986979 0.97 CYP3A4 (0.95) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL14207926 0.86 KMT2A (0.76) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL3244492 0.85 CYP3A4 (0.74) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL10719519 0.85 SMN1; SMN2 (0.80) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL16613226 0.85 KMT2A (0.74) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL29351112 0.85 ROCK1 (1.00) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL1271163 0.85 ROCK1 (1.00) CYP3A4KMT2AMAPK1CYP2D6MYLK
SCHEMBL2908958 0.85 ROCK2 (0.75) CYP3A4KMT2AMAPK1CYP2D6MYLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-27 US claimed
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO 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-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome CALCIMEDICA, INC. (US) 2026-02-10 US disclosed
US-12533359-B2 Method for preventing hair loss ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2026-01-27 US disclosed
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS AVENUE CAPITAL MANAGEMENT II, L.P. 2025-04-17 US disclosed
CN-118871110-A Methods and compositions for treating inflammatory lesions of the lung 钙医学公司 2024-10-29 CN 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
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 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
WO-2010029350-A1 TREATMENT OF FIBROTIC EYE DISORDERS UNIVERSITY OF EAST ANGLIA (GB) 2010-03-18 WO disclosed
US-20080096238-A1 HIGH THROUGHPUT ASSAY FOR HUMAN RHO KINASE ACTIVITY WITH ENHANCED SIGNAL-TO-NOISE RATIO ALCON, INC. (CH) 2008-04-24 US disclosed
US-20080096238-A1 HIGH THROUGHPUT ASSAY FOR HUMAN RHO KINASE ACTIVITY WITH ENHANCED SIGNAL-TO-NOISE RATIO ALCON, INC. (CH) 2008-04-24 US disclosed
US-20060194769-A1 Small molecules that reduce fungal growth UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-31 US disclosed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO disclosed
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO disclosed
US-20060079573-A1 Methods and compositions for preventing vasospasm EMORY UNIVERSITY 2006-04-13 US disclosed
US-6399107-B1 GLYCOSAMINOGLYCAN(GAG); TOPICALLY ADMINISTERING GENISTEIN SODIUM METAVANADATE AND/OR STAUROSPORINE PRIOR TO, DURING OR AFTER LASER SURGERY TO PREVENT CORNEAL CLOUDING ALCON LABORATORIES, INC. 2002-06-04 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 (6 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-20060194769-A1 Small molecules that reduce fungal growth ERG28, DPM1, CYP51A1 CYP3A4 3610/4885KMT2A 3817/4885MAPK1 1854/4885
US-12544371-B2 Methods and compositions for treating acute lung injury and acute respiratory distress syndrome ORAI1, MAVS, CASR CYP3A4 4735/4885KMT2A 4829/4885MAPK1 592/4885
US-12533359-B2 Method for preventing hair loss MYLK, MYLK3, MYLK2 CYP3A4 1847/4885KMT2A 1769/4885MAPK1 1319/4885
US-20250120969-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION INJURY IN THE LUNGS IL1B, MAVS, MMP8 CYP3A4 4815/4885KMT2A 4725/4885MAPK1 1573/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 CYP3A4 2670/4885KMT2A 4386/4885MAPK1 2570/4885
US-20170114060-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME ZC3HAV1, MAVS, EIF2AK2 CYP3A4 4167/4885KMT2A 2451/4885MAPK1 3467/4885

“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.