SCHEMBL10280347

SCHEMBL10280347

Cc1cc2c(cc1C)C(c1cc(Br)ccc1F)CC(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
LMNA P02545 5/20 0.70
MEN1 O00255 4/20 0.70
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.44

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
SCHEMBL880216 0.81 TP53 (0.60) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL880218 0.79 ALDH1A1 (0.61) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL880458 0.75 KMT2A (0.68) KMT2ALMNAMEN1NPC1ALDH1A1
SCHEMBL15427002 0.74 LMNA (0.54) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL880366 0.74 TP53 (0.67) KMT2ALMNAMEN1ALDH1A1POLB
SCHEMBL15427010 0.73 TP53 (0.67) KMT2ALMNAMEN1NPC1ALDH1A1
SCHEMBL15427062 0.73 LMNA (0.62) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL30162895 0.73 SMN1; SMN2 (0.63) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL15427005 0.73 SMN1; SMN2 (0.63) KMT2ALMNAMEN1ALDH1A1SMN1; SMN2
SCHEMBL880460 0.72 KMT2A (0.64) KMT2ALMNAMEN1NPC1ALDH1A1

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-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 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
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 KMT2A 1570/4885LMNA 525/4885MEN1 4741/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 KMT2A 4389/4885LMNA 3569/4885MEN1 3940/4885

“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.