SCHEMBL3818033

SCHEMBL3818033

Cc1ccccc1[CH]c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ IKBKB O14920 2/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ AKT1 P31749 2/20 0.40
▸ AKT2 P31751 2/20 0.40

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
SCHEMBL29000602 0.84 RAB9A (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL10483258 0.82 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710559 0.81 RAB9A (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL710558 0.81 RAB9A (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8824963 0.79 NPC1 (0.47) NPC1RAB9AMEN1KMT2AATM
SCHEMBL41190 0.78 RAB9A (0.74) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28825449 0.77 TSHR (0.41) RAB9AMEN1KMT2AALDH1A1TSHR
SCHEMBL11070944 0.76 KDM4E (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2037821 0.75 ALDH1A1 (0.62) RAB9AMEN1KMT2AALDH1A1TSHR
SCHEMBL29419028 0.72 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM

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 NPC1 2022/4885RAB9A 2143/4885MEN1 3380/4885

“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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