SCHEMBL2653187

SCHEMBL2653187

O/N=C/c1ccc2[nH]cnc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 4/20 0.40
▸ RIPK1 Q13546 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MAPT P10636 7/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAD52 P43351 1/20 0.36

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
SCHEMBL2653189 1.00 KDM4E (0.41) KDM4EALDH1A1L3MBTL1POLBRIPK1
SCHEMBL2653190 0.86 HDAC1 (0.52) KDM4EALDH1A1POLBHDAC1MAPT
SCHEMBL10465738 0.77 MAPT (0.42) KDM4EALDH1A1HDAC1MAPTTDP1
SCHEMBL4588444 0.77 MAPT (0.42) KDM4EALDH1A1POLBHDAC1MAPT
SCHEMBL4236815 0.77 MAPT (0.42) KDM4EALDH1A1HDAC1MAPTTDP1
SCHEMBL29505633 0.77 CYP2A6 (0.47) KDM4EALDH1A1HDAC1MAPTTDP1
SCHEMBL1160196 0.77 CYP2A6 (0.47) KDM4EALDH1A1HDAC1MAPTTDP1
SCHEMBL11436689 0.76 HDAC1 (0.39) KDM4EALDH1A1POLBHDAC1MAPT
SCHEMBL14051691 0.76 HDAC1 (0.39) KDM4EALDH1A1POLBHDAC1MAPT
SCHEMBL2606218 0.74 HDAC1 (0.39) KDM4EALDH1A1POLBHDAC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 — — EP claimed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 — — WO claimed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 — — US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 — — US disclosed
US-9512082-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2016-12-06 — — US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 — — US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 — — US disclosed
US-9034907-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-05-19 — — US disclosed
EP-2160389-A1 THIOXOQUINAZOLINONE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-03-10 — — EP disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 — — US disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 — — US disclosed
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-30 — — US disclosed
WO-2008128982-A1 THIOXOQUINAZOLINONE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128982-A1 THIOXOQUINAZOLINONE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128986-A1 UREA DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
US-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 — — EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 — — 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-20080262063-A1 Compounds of formula (I), combinations and uses thereof for disease therapy,** Image-1or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof wherein: MAPT, SLC10A1, REN KDM4E 4666/4885ALDH1A1 547/4885L3MBTL1 1711/4885
US-20080267911-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT KDM4E 1723/4885ALDH1A1 2499/4885L3MBTL1 1504/4885

“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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