SCHEMBL4303151

SCHEMBL4303151

O=S1(=O)C=Cc2c[c]ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
STAT3 P40763 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL1451128 0.83 CA1 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL5200222 0.75
SCHEMBL17315422 0.69
SCHEMBL31003510 0.69 CA9 (0.46) CA1CA2CA9MEN1NPC1
SCHEMBL62430 0.69 CA9 (0.46) CA1CA2CA9MEN1NPC1
SCHEMBL4844848 0.62 CA1 (0.32) CA1CA2CA9MEN1NPC1
SCHEMBL4886801 0.62
Methoxymethane SCHEMBL10856175 0.62 CA9 (0.41) CA1CA2CA9MEN1NPC1
SCHEMBL11638186 0.62 CA9 (0.53) CA1CA2CA9MEN1NPC1
SCHEMBL31028813 0.62 CA2 (0.53) CA1CA2CA9MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113710667-A Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases 爱尔兰詹森科学公司 2021-11-26 CN claimed
WO-2024005197-A1 SOLID DISPERSION, PHARMACEUTICAL PREPARATION CONTAINING SOLID DISPERSION, AND METHODS RESPECTIVELY FOR PRODUCING THESE PRODUCTS 日本新薬株式会社 2024-01-04 WO disclosed
WO-2023210599-A1 COMPOUND SERVING AS DDR1 KINASE INHIBITOR, AND MEDICINE 日本新薬株式会社 2023-11-02 WO disclosed
US-20230094705-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-02-09 US disclosed
US-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2023-01-05 US disclosed
CN-115315421-A Compounds and compositions as PDGF receptor kinase inhibitors 日本新药株式会社 2022-11-08 CN disclosed
CN-114929697-A Azabenzimidazole compounds and medicaments 日本新药株式会社 2022-08-19 CN disclosed
CN-114867495-A Prophylactic and/or therapeutic agent for chronic prostatitis/chronic pelvic pain syndrome 日本新药株式会社 2022-08-05 CN disclosed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 US disclosed
US-8227486-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-24 US disclosed
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-10-08 US disclosed
US-7541357-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY, INC. (US) 2009-06-02 US disclosed
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-02-19 US disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP disclosed
EP-1778639-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2007-05-02 EP disclosed
US-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. 2006-03-23 US disclosed
WO-2006020049-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2006-02-23 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 (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-20060063766-A1 Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin SLC6A3, SLC6A4, SLC6A2 CA1 4704/4885CA2 3721/4885CA9 3956/4885
US-20230040402-A1 ANTITUMOR DRUG FOR USE IN COMBINATION WITH IMMUNE CHECKPOINT INHIBITOR MPEG1, CD274, PDCD1 CA1 2545/4885CA2 2574/4885CA9 383/4885
US-20230002395-A1 AZABENZIMIDAZOLE COMPOUND AND MEDICINE PAM, CHRM3, AZI2 CA1 396/4885CA2 86/4885CA9 242/4885
US-20230094705-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR CHRONIC PROSTATITIS/CHRONIC PELVIC PAIN SYNDROME PTGES, PTGS1, PTGIS CA1 1833/4885CA2 1816/4885CA9 1412/4885
US-20090253906-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 CA1 4627/4885CA2 3754/4885CA9 3906/4885
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR PDGFRB, PDGFRA, PDGFA CA1 3818/4885CA2 549/4885CA9 1343/4885
US-20090048443-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A2, SLC6A3 CA1 4636/4885CA2 3738/4885CA9 3905/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CA1 1466/4885CA2 236/4885CA9 1446/4885

“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.