SCHEMBL1239591

SCHEMBL1239591

Oc1c(C(c2cccnc2)N2CCOCC2)ccc2cccnc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
ALOX12 P18054 5/20 0.77
HTT P42858 5/20 0.77
KMT2A Q03164 4/20 0.77
TP53 P04637 3/20 0.77
ALOX15 P16050 3/20 0.77
ESR2 Q92731 3/20 0.77
MAPK1 P28482 2/20 0.77
MEN1 O00255 1/20 0.77
LMNA P02545 5/20 0.69
L3MBTL1 Q9Y468 5/20 0.69
PPP1CA P62136 1/20 0.69
HSD17B10 Q99714 1/20 0.69
BRAF P15056 1/20 0.69
KDM4E B2RXH2 7/20 0.65
MAPT P10636 7/20 0.65
MPI P34949 1/20 0.65
P4HB P07237 2/20 0.60
HSP90AA1 P07900 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53

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
SCHEMBL30253905 0.90 ALOX12 (0.77) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL11955274 0.90 ALOX12 (0.77) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL1239504 0.89 BRAF (0.75) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL25078986 0.87 ALOX12 (0.77) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL30253589 0.87 ALOX12 (0.77) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL15781874 0.87 ALDH1A1 (1.00) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL30254216 0.86 BRAF (0.63) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL25079471 0.86 BRAF (0.63) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL11896461 0.86 ALOX12 (0.78) ALDH1A1ALOX12HTTKMT2ATP53
SCHEMBL1239639 0.84 BRAF (0.76) ALDH1A1ALOX12HTTKMT2ATP53

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 ALDH1A1 2250/4885ALOX12 251/4885HTT 1458/4885

“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.