SCHEMBL518880

SCHEMBL518880

OB(O)c1ccsc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.38
PDPK1 O15530 1/20 0.36
ALOX5 P09917 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
ENPP2 Q13822 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
BCAT2 O15382 1/20 0.35

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
SCHEMBL28354059 0.83 CA1 (0.35) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL28528852 0.80 ATP4A (0.38) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL28529156 0.76 ENPP2 (0.49) KMT2ATP53MAPK1MAPTENPP2
SCHEMBL2318969 0.73 ALDH1A1 (0.37) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL3804717 0.72 MAPT (0.44) MGLLCA1CA2MAPTALOX5
SCHEMBL1821918 0.71 CYP2A6 (0.60) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL22157985 0.71 TP53 (0.44) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL3783959 0.71 MAPT (0.43) KMT2AMGLLCA1CA2MAPT
SCHEMBL1147544 0.69 MAPT (0.50) KMT2APTGS2TP53ALOX15MAPK1
SCHEMBL1681771 0.69 PTGS2 (0.65) PTGS2BCAT2

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-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US claimed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP claimed
CN-111936496-B Heterocyclic compounds useful as medicaments 马萨里克大学 2023-12-29 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108602834-B Bruton's tyrosine kinase inhibitor 北京盛诺基医药科技股份有限公司 2021-01-08 CN disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed
EP-2393360-B1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090039771-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-12 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors MIKOSHIBA, KATSUHIKO (JP) 2004-12-23 US disclosed
EP-1444981-A1 INTRACELLULAR CALCIUM CONCENTRATION INCREASE INHIBITORS Mikoshiba, Katsuhiko (JP) 2004-08-11 EP 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1900/4885PTGS2 840/4885TP53 4829/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B KMT2A 1887/4885PTGS2 865/4885TP53 4820/4885
US-20040259842-A1 Intracellular calcuim concentration increase inhibitors CAB39, BPGM, ORAI1 KMT2A 4827/4885PTGS2 470/4885TP53 3660/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KMT2A 1474/4885PTGS2 3544/4885TP53 2819/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B KMT2A 1726/4885PTGS2 1139/4885TP53 4821/4885
US-20090039771-A1 ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE L1CAM, LEF1, LAGE3 KMT2A 944/4885PTGS2 2378/4885TP53 3937/4885

“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.