SCHEMBL3461999

SCHEMBL3461999

C[C](c1ccccc1)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
MYC P01106 1/20 0.39

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
SCHEMBL7643456 0.86 AKR1C3 (0.46) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL2451836 0.85 TSHR (0.50) HPGDERCC5FEN1SMN1; SMN2ALDH1A1
SCHEMBL12483224 0.85 ESR1 (0.47) NPC1RAB9AALDH1A1KMT2A
SCHEMBL6002891 0.81 KCNK3 (0.53) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL4711341 0.79 NPC1 (0.43) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL336772 0.78 NPC1 (0.46) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL430940 0.78 NPC1 (0.46) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL2723991 0.76 TSHR (0.41) HPGDALDH1A1TSHRACHE
SCHEMBL38015 0.76 CES1 (0.52) HPGDSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL20659157 0.74 SMN1; SMN2 (0.50) NPC1RAB9AHPGDERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP claimed
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
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-2246916-A2 Amine dye for a dye sensitized solar cell Konica Minolta Business Technologies, Inc. (JP) 2010-11-03 EP disclosed
EP-2225251-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK Energy Co., Ltd. (KR) 2010-09-08 EP disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
WO-2009084805-A1 TRANSITION METAL COMPLEXES, CATALYSTS COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PREPARING ETHYLENE HOMOPOLYMERS OR COPOLYMERS OF ETHYLENE AND ALPHA-OLEFINS USING THE SAME SK ENERGY CO., LTD. (KR) 2009-07-09 WO 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 NPC1 2022/4885RAB9A 2143/4885HPGD 811/4885

“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.