SCHEMBL88832

SCHEMBL88832

O=S1(=O)C=Nc2cnccc21

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL89180 0.83 EGFR (0.33) KDM4EMEN1KDM6BKDM4AALDH1A1
SCHEMBL21157146 0.64 GPR3 (0.44) KDM4EMEN1KDM6BKDM4AALDH1A1
SCHEMBL89122 0.62 CA1 (0.41) MEN1KMT2A
SCHEMBL7858362 0.61
SCHEMBL21266565 0.60 CA1 (0.41) KDM4EMAPTKMT2ATDP1
SCHEMBL21032222 0.60 PTGDR2 (0.34)
SCHEMBL21157145 0.59 GPR3 (0.44) KDM4EMEN1KDM6BKDM4AALDH1A1
SCHEMBL9264880 0.59 CHRNB2 (0.32)
SCHEMBL88782 0.58 CA9 (0.41) MEN1KMT2A
SCHEMBL844869 0.57 SIGMAR1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309255-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-04-12 US disclosed
US-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT SUMITOMO DAINIPPON PHARMA CO., LTD 2015-03-26 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8921551-B2 Process of a quaternary ammonium salt SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-12-30 US disclosed
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-09-11 US disclosed
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
US-8586737-B2 Process of a quaternary ammonium salt using phosphate DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-11-19 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090281161-A1 Organic Compounds MAIBAUM JUERGEN KLAUS 2009-11-12 US disclosed
US-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 US disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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 (14 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-20150087830-A1 PROCESS OF A QUATERNARY AMMONIUM SALT KAT5, ATP1B2, QARS1 KDM4E 774/4885MEN1 3981/4885KDM6B 1145/4885
US-20140031548-A1 PROCESS OF A QUATERNARY AMMONIUM SALT USING PHOSPHATE PHPT1, SLC34A2, SLC34A3 KDM4E 792/4885MEN1 4045/4885KDM6B 1423/4885
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP KDM4E 2064/4885MEN1 2753/4885KDM6B 2441/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD KDM4E 1562/4885MEN1 1437/4885KDM6B 1965/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE KDM4E 1290/4885MEN1 1534/4885KDM6B 2415/4885
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KDM4E 1597/4885MEN1 2386/4885KDM6B 2205/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KDM4E 1650/4885MEN1 2336/4885KDM6B 2256/4885
US-20090281161-A1 Organic Compounds REN, ACE, OTC KDM4E 1567/4885MEN1 2965/4885KDM6B 2277/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 KDM4E 1117/4885MEN1 177/4885KDM6B 360/4885
US-20090270417-A1 Organic Compounds REN, ACE, OTC KDM4E 1567/4885MEN1 2965/4885KDM6B 2277/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC KDM4E 1140/4885MEN1 2812/4885KDM6B 1950/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KDM4E 2265/4885MEN1 2792/4885KDM6B 3240/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO KDM4E 1011/4885MEN1 2834/4885KDM6B 1867/4885
US-20140256939-A1 PROCESS OF PREPARING A QUATERNARY AMMONIUM SALT USING PHOSPHATE AGPS, SLC34A3, SLC34A1 KDM4E 566/4885MEN1 3682/4885KDM6B 1166/4885

“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.