SCHEMBL406464

SCHEMBL406464

FC(F)Oc1cc[c]cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.35
MEN1 O00255 9/20 0.35
KMT2A Q03164 9/20 0.35
ALDH1A1 P00352 6/20 0.35
HTT P42858 8/20 0.34
LMNA P02545 7/20 0.34
TP53 P04637 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL403016 0.84 ALDH1A1 (0.33) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL900766 0.81 DRD1 (0.30)
SCHEMBL4965704 0.80 ALDH1A1 (0.36) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL1231512 0.80 CSNK2A1 (0.43) MEN1KMT2ALMNAS1PR3GAA
SCHEMBL932516 0.79
SCHEMBL534114 0.78 KMT2A (0.33) KMT2A
SCHEMBL23411177 0.76
SCHEMBL5184448 0.76
SCHEMBL1067736 0.76
SCHEMBL1067987 0.76 ALDH1A1 (0.32) MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
CN-106518845-A Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof CHDI基金会股份有限公司 2017-03-22 CN claimed
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-09-01 US claimed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
EP-2750677-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2014-07-09 EP claimed
CN-101553473-B Substituted pyrazoles, compositions containing them, methods of production and uses SANOFI AVENTIS 2013-06-05 CN claimed
WO-2013033085-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF COURTNEY STEPHEN MARTIN (GB) 2013-03-07 WO claimed
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS APODACA RICHARD (US) 2012-12-20 US claimed
JP-2011526295-A 2011-10-06 JP claimed
WO-2008002818-A1 SUBSTITUTED AMINOMETHYL BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
US-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US claimed
WO-2008002820-A2 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 WO claimed
EP-1831173-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-12 EP claimed
WO-2006138714-A2 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO claimed
WO-2006138604-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 WO claimed
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-28 US claimed
US-20060287292-A1 NAPHTHYRIDINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US claimed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 US claimed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 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 (7 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-20080004258-A1 BUTYL AND BUTYNYL BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 MAPT 635/4885MEN1 1878/4885KMT2A 1230/4885
US-20060287292-A1 NAPHTHYRIDINE COMPOUNDS HRH3, HRH4, HRH1 MAPT 892/4885MEN1 1421/4885KMT2A 1545/4885
US-20060293316-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MAPT 708/4885MEN1 3014/4885KMT2A 1059/4885
US-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 MAPT 618/4885MEN1 1264/4885KMT2A 494/4885
US-20160251318-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, HAAO MAPT 865/4885MEN1 1936/4885KMT2A 107/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPT 3785/4885MEN1 4216/4885KMT2A 839/4885
US-20120321559-A1 HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS HRH3, HRH1, HRH4 MAPT 708/4885MEN1 3014/4885KMT2A 1059/4885

“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.