SCHEMBL1337683

SCHEMBL1337683

O=C1OC2(CCCCC2)Nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.59
KDM4E B2RXH2 11/20 0.46
HPGD P15428 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE7A Q13946 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL7508014 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDRXFP1TSHR
SCHEMBL29425214 0.75 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDRXFP1TSHR
SCHEMBL16163017 0.73 PDE7A (0.54) ALDH1A1KDM4EHPGDRXFP1SMN1; SMN2
SCHEMBL9618264 0.71 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTTSMN1; SMN2
SCHEMBL29913568 0.70 KDM4E (0.65) ALDH1A1KDM4EHPGDRXFP1HTT
SCHEMBL11981424 0.68 KDM4E (0.67) ALDH1A1KDM4EHPGDRXFP1HTT
SCHEMBL22915226 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDRXFP1HTT
SCHEMBL6427482 0.66 SIGMAR1 (0.56)
SCHEMBL11536434 0.64 MAOA (0.47) ALDH1A1KDM4EHPGDRXFP1SMN1; SMN2
SCHEMBL20960546 0.64 KDM4E (0.64) ALDH1A1KDM4EHPGDRXFP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063062-B2 Alzheimer's disease, cognitive disorders, memory disorders, dementia, attention deficit disorder, traumatic brain injury, drug dependence, addiction; -chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazolyl]-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methylene}benzene-sulfonamide SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-22 US disclosed
US-8063062-B2 Alzheimer's disease, cognitive disorders, memory disorders, dementia, attention deficit disorder, traumatic brain injury, drug dependence, addiction; -chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazolyl]-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methylene}benzene-sulfonamide SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-22 US disclosed
US-20080153867-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-06-26 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-20080153867-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION ACHE, BACE1, BCHE ALDH1A1 523/4885KDM4E 605/4885HPGD 1910/4885

“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.