SCHEMBL880478

SCHEMBL880478

Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc3ccccc3[nH]2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.84
KDM4E B2RXH2 5/20 0.84
MAPT P10636 10/20 0.68
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
NPSR1 Q6W5P4 7/20 0.68
HTT P42858 6/20 0.68
TDP1 Q9NUW8 6/20 0.68
HPGD P15428 3/20 0.68
POLB P06746 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2D6 P10635 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 4/20 0.66
MAPK1 P28482 2/20 0.66
ATM Q13315 2/20 0.66

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
SCHEMBL13522300 0.92 ALDH1A1 (0.88) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL880412 0.90 ALDH1A1 (0.84) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL880481 0.88 KDM4E (0.81) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL880413 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10280642 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL880480 0.80 MAPT (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL880258 0.79 NPSR1 (0.92) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29004406 0.78 KDM4E (0.69) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL20672996 0.78 ADCY1 (1.00) ADCY8ADCY1
SCHEMBL20657977 0.78 ADCY1 (0.72) ALDH1A1KDM4EMEN1KMT2AADCY8

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 5 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
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 ALDH1A1 171/4885KDM4E 1289/4885MAPT 30/4885

“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.