SCHEMBL3814446

SCHEMBL3814446

Cc1ccccc1[CH]c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PKM P14618 2/20 0.50
TSHR P16473 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ALOX5 P09917 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 3/20 0.39
HTT P42858 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28185088 0.84 PTGS1 (0.53) ALDH1A1PKMTSHRRAB9ASMN1; SMN2
SCHEMBL559558 0.77 SMN1; SMN2 (0.59) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL2037821 0.77 ALDH1A1 (0.62) ALDH1A1TSHRRAB9AKMT2AMEN1
SCHEMBL27541227 0.75 MEN1 (0.51) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL28120959 0.73 ALDH1A1 (0.41) ALDH1A1PKMTSHRRAB9ASMN1; SMN2
SCHEMBL723432 0.71 SMN1; SMN2 (0.48) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL723113 0.71 MAPT (0.44) ALDH1A1PKMRAB9ASMN1; SMN2NPC1
SCHEMBL3814687 0.69 POLB (0.40) ALDH1A1PKMTSHRRAB9ASMN1; SMN2
SCHEMBL152682 0.69
SCHEMBL1009581 0.69 TSHR (0.52) ALDH1A1TSHRRAB9ASMN1; SMN2PTGS1

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-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL ALDH1A1 1395/4885PKM 2470/4885TSHR 1530/4885

“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.