SCHEMBL880216

SCHEMBL880216

Cc1cc2c(cc1C)C(c1ccc(F)c(Br)c1)CC(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 4/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
THRB P10828 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL880218 0.88 ALDH1A1 (0.61) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL10280347 0.81 KMT2A (0.70) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL880459 0.79 SMN1; SMN2 (0.66) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL10280290 0.77 LMNA (0.70) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL880238 0.73 ALDH1A1 (0.51) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL12162567 0.73 LMNA (0.46) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL880352 0.72 KMT2A (0.73) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL880458 0.72 KMT2A (0.68) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL10280611 0.71 MAPT (0.60) TP53ALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL13522431 0.71 KMT2A (0.58) TP53ALDH1A1POLBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 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 (2 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT TP53 1529/4885ALDH1A1 171/4885POLB 3011/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 TP53 3445/4885ALDH1A1 3699/4885POLB 3957/4885

“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.