SCHEMBL353880

SCHEMBL353880

COc1cc2c(cc1OC)C(=NO)CC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
MAOA P21397 1/20 0.46
EGFR P00533 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 3/20 0.43
PTGS2 P35354 1/20 0.41
BRAF P15056 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL353879 1.00 HTT (0.47) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL5472320 0.89 KDM4E (0.50) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL5472326 0.89 KDM4E (0.50) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL9687030 0.86 MEN1 (0.46) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL12857796 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL22925071 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL13644354 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL1810515 0.78 KMT2A (0.52) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL1816315 0.78 KMT2A (0.52) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL30604596 0.78 HTR2A (0.45) HTTALDH1A1MAPTKDM4EEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105111095-A Method for preparing S-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-02 CN claimed
CN-105152944-A Preparation method of R-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-16 CN disclosed
CN-105111095-A Method for preparing S-5, 6-dimethoxy-1-aminoindane WU LING 2015-12-02 CN disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 WO disclosed
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 EP 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 HTT 22/4885ALDH1A1 2230/4885MAPT 12/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 10/4885ALDH1A1 2989/4885MAPT 14/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 15/4885ALDH1A1 3131/4885MAPT 13/4885

“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.