SCHEMBL3824409

SCHEMBL3824409

C[C](c1ccco1)c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS1 P23219 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL11311905 0.79 KMT2A (0.60) KMT2AMEN1CES2CES1ATM
SCHEMBL559144 0.79 CES2 (0.56) KMT2AMEN1CES2CES1POLB
SCHEMBL2451836 0.76 TSHR (0.50) KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6469132 0.74 MEN1 (0.71) KMT2AMEN1ATMPOLBALDH1A1
SCHEMBL2459083 0.74 ALDH1A1 (0.58) KMT2AMEN1CES2CES1POLB
SCHEMBL19875789 0.73 KMT2A (0.54) KMT2AMEN1CES2CES1ATM
SCHEMBL19875788 0.73 KMT2A (0.54) KMT2AMEN1CES2CES1ATM
SCHEMBL7046593 0.72 KMT2A (0.52) KMT2AMEN1CES2CES1ATM
SCHEMBL5640669 0.69
SCHEMBL9686051 0.69 ATM (0.56) KMT2AMEN1CES2CES1ATM

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 KMT2A 3747/4885MEN1 3380/4885CES2 1652/4885

“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.