SCHEMBL17144228

SCHEMBL17144228

COC(=O)c1ccnc(C(=O)CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.53
▸ KDM4C Q9H3R0 3/20 0.53
▸ KDM6B O15054 2/20 0.53
▸ KDM5C P41229 2/20 0.53
▸ KDM2A Q9Y2K7 2/20 0.53
▸ KDM3A Q9Y4C1 2/20 0.53
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ JMJD6 Q6NYC1 1/20 0.47
▸ HTT P42858 2/20 0.43
▸ KDM5B Q9UGL1 4/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM5A P29375 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TET3 O43151 1/20 0.42

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
SCHEMBL28711081 0.88 KDM4E (0.45) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL19615673 0.86 KDM4E (0.54) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30065796 0.83 KDM4E (0.62) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL70350 0.83 KDM4E (0.62) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL17145139 0.82 SMN1; SMN2 (0.53) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL19631951 0.80 FTO (0.67) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30378954 0.80 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL30779113 0.80 KDM4E (0.68) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL1759313 0.80 KDM4E (0.58) KDM4EKDM4CKDM6BKDM5CKDM2A
SCHEMBL475565 0.80 KDM4E (0.68) KDM4EKDM4CKDM6BKDM5CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US disclosed
WO-2017198785-A1 OXIME DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASE KDM4C IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-11-23 — — WO disclosed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP disclosed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A KDM4E 17/4885KDM4C 38/4885KDM6B 42/4885

“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.

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