SCHEMBL2274191

SCHEMBL2274191

O=c1cc(NCCCNC2CCNc3c(Br)cc(Cl)cc32)[nH]c2ccsc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.61
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2271965 0.92 MARS1 (0.72) MARS1SLC2A1
SCHEMBL12406475 0.92 MARS1 (0.72) MARS1SLC2A1
SCHEMBL2173453 0.92 MARS1 (0.72) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173823 0.91 MARS1 (0.71) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173612 0.91 MARS1 (0.71) MARS1SLC2A1
Hydrochloric Acid SCHEMBL2173635 0.91 MARS1 (0.71) MARS1SLC2A1
SCHEMBL11904767 0.91 MARS1 (0.61) MARS1SLC2A1
SCHEMBL12370237 0.88 MARS1 (0.58) MARS1SLC2A1
SCHEMBL2272871 0.88 MARS1 (0.61) MARS1SLC2A1
SCHEMBL2275781 0.85 MARS1 (0.61) MARS1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240000756-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2024-01-04 US claimed
EP-4259115-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER Crestone, Inc. (US) 2023-10-18 EP claimed
CN-116867484-A Methods and compounds for treating autism spectrum disorders 克莱斯通公司 2023-10-10 CN claimed
WO-2022125691-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2022-06-16 WO claimed
EP-2094714-B1 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE INC (US) 2012-08-15 EP claimed
US-7994192-B2 5-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-ylamino)-propylamino]-4H-thieno [3,2-b]pyridin-7-one, used as inhibitors of bacterial methionyl tRNA synthetase, administered for the treatment of bacterial infections; therapy for Clostridium difficile based infections CRESTONE, INC. (US) 2011-08-09 US claimed
EP-2094714-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Crestone, Inc. (US) 2009-09-02 EP claimed
US-20090163536-A1 METHODS AND COMPOUNDS FOR TREATMENT OF CLOSTRIDIUM BASED INFECTION REPLIDYNE, INC. (US) 2009-06-25 US claimed
US-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-06-19 US claimed
WO-2008039639-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 WO claimed
WO-2008039642-A2 METHODS AND COMPOUNDS FOR TREATMENT OF CLOSTRIDIUM BASED INFECTION REPLIDYNE, INC. (US) 2008-04-03 WO claimed
US-20240000756-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2024-01-04 US disclosed
EP-4259115-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER Crestone, Inc. (US) 2023-10-18 EP disclosed
CN-116867484-A Methods and compounds for treating autism spectrum disorders 克莱斯通公司 2023-10-10 CN disclosed
WO-2022125691-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER CRESTONE, INC. (US) 2022-06-16 WO disclosed
US-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-06-19 US disclosed
US-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity REPLIDYNE, INC. (US) 2008-06-19 US disclosed
WO-2008039639-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 WO disclosed
WO-2008039639-A2 SUBSTITUTED THIENOPYRIDONE COMPOUNDS WITH ANTIBACTERIAL ACTIVITY CRESTONE, INC. (US) 2008-04-03 WO disclosed
WO-2008039642-A2 METHODS AND COMPOUNDS FOR TREATMENT OF CLOSTRIDIUM BASED INFECTION REPLIDYNE, INC. (US) 2008-04-03 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 (3 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-20080146609-A1 Substituted Thienopyridone Compounds With Antibacterial Activity TRDMT1, TYMS, WARS1 MARS1 9/4885SLC2A1 4553/4885
US-20240000756-A1 METHODS AND COMPOUNDS FOR TREATMENT OF AUTISM SPECTRUM DISORDER MTR, GARS1, AANAT MARS1 82/4885SLC2A1 3875/4885
US-20090163536-A1 METHODS AND COMPOUNDS FOR TREATMENT OF CLOSTRIDIUM BASED INFECTION MTR, GARS1, CPS1 MARS1 31/4885SLC2A1 3895/4885

“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.