SCHEMBL3629866

SCHEMBL3629866

Cc1ccc(-c2cc(NCCCn3ccnc3)nc(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NAMPT P43490 1/20 0.48

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
SCHEMBL3626572 0.92 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1GAAPOLB
SCHEMBL3630136 0.91 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1GAAPOLB
SCHEMBL3629417 0.91 TP53 (0.60) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL3627950 0.89 QPCT (0.54) ALDH1A1KDM4ENPC1GAAMAPK1
SCHEMBL3632297 0.88 KDM4E (0.50) ALDH1A1KDM4ENPC1GAAPOLB
SCHEMBL3633442 0.87 GSK3A (0.57) ALDH1A1KDM4ENPC1GAAPOLB
SCHEMBL3632275 0.86 SMN1; SMN2 (0.53) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL3631248 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1GAAPOLB
SCHEMBL3633355 0.83 LMNA (0.53) ALDH1A1KDM4EGAARAB9AMAPK1
SCHEMBL3629907 0.83 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 — — EP claimed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US claimed
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 — — EP disclosed
EP-2142536-B1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2015-10-21 — — EP disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US disclosed
US-8188094-B2 Imidazole derivatives; Alzheimer's Disease, Down syndrome and Huntington's Disease; hypotensive agents; sleeping and eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 1-(3,4-dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea PROBIODRUG AG (DE) 2012-05-29 — — US disclosed
EP-2142536-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS Probiodrug AG (DE) 2010-01-13 — — EP disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
WO-2008128984-A1 AMINOPYRIMIDINE DERIVATIVES AS GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-10-30 — — WO disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 — — US disclosed
US-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-23 — — US 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-20080260688-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE GLS, GLS2, QPCT ALDH1A1 2266/4885KDM4E 2257/4885NPC1 3158/4885

“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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