SCHEMBL705754

SCHEMBL705754

O=C(O)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.64
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
GPR35 Q9HC97 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PIM2 Q9P1W9 2/20 0.58
HRH4 Q9H3N8 1/20 0.56
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
BCAT1 P54687 1/20 0.55
MAOB P27338 3/20 0.54
CSNK2A1 P68400 3/20 0.54
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CSNK2A3 Q8NEV1 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL29526778 1.00 PIM1 (0.64) PIM1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL3499199 0.86 PIM1 (0.59) PIM1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL16595303 0.86 NPC1 (0.56) PIM1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL2706216 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP2C9GPR35
SCHEMBL29994222 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP2C9GPR35
SCHEMBL3613922 0.85 MAOB (0.63) KDM4EALDH1A1CYP1A2CYP2C9GPR35
SCHEMBL5601015 0.85 ALDH1A1 (0.58) PIM1KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6894785 0.84 KDM4E (0.67) KDM4EALDH1A1CYP1A2CYP2C9GPR35
SCHEMBL6239408 0.82 HDAC3 (0.60) KDM4EALDH1A1CYP1A2CYP2C9GPR35
SCHEMBL30629235 0.82 NPC1 (0.69) KDM4EALDH1A1CYP1A2CYP2C9GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110078720-A Halogenated benzofuran-coumarin derivative and its preparing the application in fouling resistance agent 扬州工业职业技术学院 2019-08-02 CN claimed
CN-106397377-B The method of fluorine on a kind of electron rich five-ring heterocycles acid and its derivative decarboxylation 中南大学 2019-04-05 CN claimed
CN-106397377-A Electron-rich five-membered heterocyclic acid and method for decarboxylation and fluorination of derivative thereof 中南大学 2017-02-15 CN claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
WO-2010012396-A1 5,6 SUBSTITUTED BENZAMIDE DERIVATIVES AS MODULATORS OF THE EP<SB>2 </SB>RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO claimed
EP-2149552-A1 5,6 substituted benzamide derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN claimed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN claimed
US-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases WARNER-LAMBERT COMPANY LLC 2005-01-06 US claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
EP-1320523-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Warner-Lambert Company LLC (US) 2003-06-25 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050004167-A1 Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases BCAT1, BCAT2, ABAT PIM1 2992/4885KDM4E 3961/4885ALDH1A1 642/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 PIM1 4454/4885KDM4E 4309/4885ALDH1A1 527/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 PIM1 4763/4885KDM4E 3048/4885ALDH1A1 834/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 PIM1 3365/4885KDM4E 3285/4885ALDH1A1 2231/4885

“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.