SCHEMBL1240564

SCHEMBL1240564

Oc1c(C(c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
ALDH1A1 P00352 6/20 0.80
MAPT P10636 6/20 0.80
HTT P42858 6/20 0.80
PPP1CA P62136 3/20 0.80
TDP1 Q9NUW8 3/20 0.80
ALPL P05186 1/20 0.80
ADAM17 P78536 1/20 0.80
HSP90AA1 P07900 6/20 0.77
L3MBTL1 Q9Y468 5/20 0.77
LMNA P02545 4/20 0.77
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
NPSR1 Q6W5P4 1/20 0.68
ALOX12 P18054 3/20 0.67
TP53 P04637 2/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 1/20 0.67
PSMD14 O00487 1/20 0.57

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
SCHEMBL1239765 0.89 KDM4E (1.00) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL9996417 0.88 HSP90AA1 (0.70) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL1239546 0.85 HSP90AA1 (0.82) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL25079430 0.85 HSP90AA1 (0.69) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL30253533 0.85 HSP90AA1 (0.69) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL12905228 0.85 HTT (0.58) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL11955269 0.83 HSP90AA1 (0.80) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL1240796 0.82 KDM4E (0.57) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL11955265 0.82 HSP90AA1 (0.70) KDM4EALDH1A1MAPTHTTPPP1CA
SCHEMBL11955275 0.82 METAP2 (0.58) KDM4EALDH1A1MAPTHTTPPP1CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
EP-2467361-A1 NOVEL QUINOLINE-HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-06-27 EP disclosed
WO-2011020886-A1 NOVEL QUINOLINE-HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-02-24 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-20120196853-A1 Novel Quinoline-Hepcidine Antagonists HAMP, SLC40A1, FTH1 KDM4E 3190/4885ALDH1A1 2250/4885MAPT 4808/4885

“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.