SCHEMBL1121702

SCHEMBL1121702

COc1cc(F)ccc1C(=O)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
HPGDS O60760 1/20 0.54
PTPN1 P18031 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTSL P07711 1/20 0.43
LMNA P02545 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HTT P42858 1/20 0.42
GSK3B P49841 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CLK1 P49759 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL29586157 0.87 HPGDS (0.54) NPC1SMN1; SMN2RAB9AHPGDSPTPN1
SCHEMBL2097494 0.87 HPGDS (0.54) NPC1SMN1; SMN2RAB9AHPGDSPTPN1
SCHEMBL5278613 0.85 SMN1; SMN2 (0.56) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL5051495 0.84 KDM4E (0.49) NPC1SMN1; SMN2RAB9AHPGDSPTPN1
SCHEMBL13637552 0.81 FAAH (0.43) NPC1SMN1; SMN2RAB9AHPGDSPTPN1
SCHEMBL29799615 0.81 SMN1; SMN2 (0.61) NPC1SMN1; SMN2RAB9AHPGDSKMT2A
SCHEMBL4355417 0.81 HPGDS (0.55) NPC1SMN1; SMN2RAB9AHPGDSKMT2A
SCHEMBL21755483 0.81 MEN1 (0.63) NPC1SMN1; SMN2RAB9AHPGDSPTPN1
SCHEMBL624930 0.81 SMN1; SMN2 (0.61) NPC1SMN1; SMN2RAB9AHPGDSKMT2A
SCHEMBL3465985 0.81 HPGDS (0.55) NPC1SMN1; SMN2RAB9AHPGDSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-2789607-B1 PYRIDONE DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2018-02-07 EP disclosed
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-11-24 US disclosed
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-11-24 US disclosed
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-11-24 US disclosed
US-9447072-B2 Pyridone derivative and pharmaceutical containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-09-20 US disclosed
US-9447072-B2 Pyridone derivative and pharmaceutical containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-09-20 US disclosed
US-9447072-B2 Pyridone derivative and pharmaceutical containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-09-20 US disclosed
US-20160168540-A1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-06-16 US disclosed
EP-1685100-B1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2011-02-09 EP disclosed
EP-2253630-A1 Heterocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2151440-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-02-10 EP disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed
US-7094777-B2 5-HT2A receptor ligands MERK SHARP & DOHME LTD. 2006-08-22 US disclosed
EP-1685100-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS Merck Sharp & Dohme Limited (GB) 2006-08-02 EP disclosed
WO-2005047246-A1 NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO disclosed
US-20050101586-A1 Novel 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. (GB) 2005-05-12 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-20050101586-A1 Novel 5-HT2A receptor ligands HTR2A, HTR1A, HTR5A NPC1 1858/4885SMN1; SMN2 644/4885RAB9A 1740/4885
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME PLPBP, PDXK, PNPO NPC1 3997/4885SMN1; SMN2 3497/4885RAB9A 2407/4885
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof PNPO, PDXK, PLPBP NPC1 3432/4885SMN1; SMN2 3411/4885RAB9A 2835/4885
US-20160168540-A1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION PF4, F2, PFKP NPC1 4503/4885SMN1; SMN2 2786/4885RAB9A 1837/4885
US-20100137281-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PCSK9, APOB, REN NPC1 118/4885SMN1; SMN2 2261/4885RAB9A 3399/4885
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST NPC1 3128/4885SMN1; SMN2 4704/4885RAB9A 1434/4885

“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.