SCHEMBL880480

SCHEMBL880480

Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3[nH]2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 1.00
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
POLB P06746 2/20 1.00
HPGD P15428 3/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
NPSR1 Q6W5P4 7/20 0.74
TDP1 Q9NUW8 7/20 0.74
LMNA P02545 4/20 0.74
MAPK1 P28482 2/20 0.74
ATM Q13315 2/20 0.74
ALDH1A1 P00352 6/20 0.72
KDM4E B2RXH2 6/20 0.72
HTT P42858 6/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2D6 P10635 1/20 0.67

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
SCHEMBL20673056 0.83 MAPT (0.71) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL880413 0.82 ALDH1A1 (0.77) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13522300 0.82 ALDH1A1 (0.88) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL880478 0.80 ALDH1A1 (0.84) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL880412 0.80 ALDH1A1 (0.84) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL880481 0.79 KDM4E (0.81) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20673092 0.79 MEN1 (0.65) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20673020 0.79 MEN1 (0.65) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL880414 0.78 SMN1; SMN2 (0.64) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL10280642 0.78 ALDH1A1 (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB

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 4 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-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 (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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT MAPT 30/4885MEN1 4741/4885KMT2A 1570/4885

“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.