SCHEMBL16212418

SCHEMBL16212418

O=C(O)c1ccccc1OCc1cn2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.66
▸ NPC1 O15118 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PTGS1 P23219 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TP53 P04637 1/20 0.45

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
SCHEMBL27921582 0.81 KDM4E (0.53) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL19222365 0.80 KDM4E (0.52) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23488101 0.80 KDM4E (1.00) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL17694678 0.78 KDM4E (0.78) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL15558115 0.76 KDM4E (0.61) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL14777184 0.74 NPC1 (0.54) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL12419636 0.74 TSHR (0.68) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL23488102 0.73 KDM4E (0.80) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL203875 0.73 KDM4E (0.52) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1668031 0.73 KDM4E (0.62) KDM4ENPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 — — US claimed
EP-2991963-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION Heinrich-Heine-Universität Düsseldorf (DE) 2016-03-09 — — EP claimed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 — — WO claimed
EP-2991963-B1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH HEINE UNIV DUESSELDORF (DE) 2021-07-07 — — EP disclosed
EP-2991963-B1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH HEINE UNIV DUESSELDORF (DE) 2021-07-07 — — EP disclosed
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2021-05-20 — — US disclosed
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2021-05-20 — — US disclosed
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 — — US disclosed
US-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITAT DUSSELDORF (DE) 2016-04-21 — — US disclosed
EP-2991963-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION Heinrich-Heine-Universität Düsseldorf (DE) 2016-03-09 — — EP disclosed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 — — WO disclosed
WO-2014177464-A2 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION HEINRICH-HEINE-UNIVERSITÄT DÜSSELDORF (DE) 2014-11-06 — — 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 (2 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-20160108031-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION RUNX1, ETV6, NPM1 KDM4E 2323/4885NPC1 1916/4885SMN1; SMN2 4526/4885
US-20210147415-A1 INHIBITORS OF NHR2 AND/OR RUNX1/ETO-TETRAMERIZATION RUNX1, ETV6, NPM1 KDM4E 2323/4885NPC1 1916/4885SMN1; SMN2 4526/4885

“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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