SCHEMBL1239765

SCHEMBL1239765

Oc1c(C(c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 7/20 1.00
MAPT P10636 7/20 1.00
HTT P42858 7/20 1.00
TDP1 Q9NUW8 4/20 1.00
PPP1CA P62136 3/20 1.00
ALPL P05186 1/20 1.00
ADAM17 P78536 1/20 1.00
HSP90AA1 P07900 7/20 0.80
L3MBTL1 Q9Y468 5/20 0.80
LMNA P02545 4/20 0.80
SMN1; SMN2 Q16637 4/20 0.71
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
NPSR1 Q6W5P4 2/20 0.71
PSMD14 O00487 1/20 0.59
MMP2 P08253 1/20 0.59
ALOX12 P18054 3/20 0.54
ESR2 Q92731 1/20 0.54
METAP2 P50579 1/20 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
SCHEMBL1240564 0.89 KDM4E (0.80) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL14750982 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL12905181 0.84 ALDH1A1 (0.72) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL11955265 0.82 HSP90AA1 (0.70) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL11955295 0.81 KDM4E (0.69) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL9960186 0.79 PPP1CA (0.79) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL18313865 0.79 MCL1 (0.79) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL9996417 0.77 HSP90AA1 (0.70) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL5096659 0.74 NPC1 (0.66) KDM4EALDH1A1MAPTHTTTDP1
SCHEMBL25079430 0.74 HSP90AA1 (0.69) KDM4EALDH1A1MAPTHTTTDP1

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.