SCHEMBL6205311

SCHEMBL6205311

O=C(O)c1ccc(=O)[nH]c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.45
PTPN1 P18031 4/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
KDM4A O75164 3/20 0.42
KDM5B Q9UGL1 3/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RNASEH1 O60930 1/20 0.42
CDC7 O00311 1/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KDM6B O15054 2/20 0.40
KDM4D Q6B0I6 2/20 0.40
HIF1AN Q9NWT6 2/20 0.40
KDM2A Q9Y2K7 2/20 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
SCHEMBL8105022 0.83 HCAR2 (0.49) KDM4AKDM5BKDM4CMMP1MMP2
SCHEMBL8122044 0.80 MMP1 (0.51) KDM4EMMP1MMP12ALDH1A1SMN1; SMN2
SCHEMBL16880866 0.79 KMT2A (0.53) PTPN1KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL4647626 0.75 KDM5A (0.40) KDM5BKDM5AKDM4EHCAR1
SCHEMBL3912930 0.74 KDM4E (0.53) HNF4APTPN1PTPN2PTPN6KDM4A
SCHEMBL4966514 0.74 BRS3 (0.34) KDM5BKDM5AKDM4EALDH1A1ALOX15
SCHEMBL26502 0.72 HNF4A (0.53) HNF4APTPN1PTPN2PTPN6TSHR
SCHEMBL15567932 0.72 ALDH1A1 (0.34) KDM5BKDM5AKDM4EMMP1MMP2
SCHEMBL23537975 0.71 HCAR2 (0.39) KDM5BKDM5AKDM4ETSHRMMP1
SCHEMBL4428237 0.71 KDM4E (0.50) HNF4APTPN1PTPN2PTPN6KDM4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO 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 (1 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 HNF4A 1265/4885PTPN1 667/4885PTPN2 709/4885

“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.