SCHEMBL15323683

SCHEMBL15323683

CCCCN(C)C(=O)Oc1ccc2c(C=O)cn(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ACHE P22303 11/20 0.41
IMPDH2 P12268 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15323942 0.89 ALDH1A1 (0.59) ALDH1A1ACHEIMPDH2MAOBKDM4E
SCHEMBL15322691 0.88 MEN1 (0.40) ALDH1A1ACHE
SCHEMBL16589545 0.86 ALDH1A1 (0.41) ALDH1A1ACHEKDM4E
SCHEMBL15323000 0.80 LTB4R (0.39) ACHE
SCHEMBL15322221 0.79 ACHE (0.39) ALDH1A1ACHE
SCHEMBL16589543 0.78 ALDH1A1 (0.56) ALDH1A1ACHEIMPDH2KDM4E
SCHEMBL15322277 0.77 ALDH1A1 (0.65) ALDH1A1ACHEIMPDH2KDM4E
SCHEMBL15323603 0.77 ALDH1A1 (0.53) ALDH1A1ACHEKDM4E
SCHEMBL15323042 0.76 ALDH1A1 (0.43) ALDH1A1ACHEMAOAMAOB
SCHEMBL15322303 0.76 LMNA (0.40) ALDH1A1ACHEIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
EP-2847165-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-03-18 EP disclosed
WO-2013150529-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2013-10-10 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-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, INMT, IDO2 ALDH1A1 840/4885ACHE 60/4885IMPDH2 154/4885

“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.