SCHEMBL880262

SCHEMBL880262

COc1cccc2c1C(c1ccccc1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CREBBP Q92793 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL10090757 0.79 GAA (0.78) TDP1L3MBTL1TSHRPKMGAA
SCHEMBL880452 0.77 CREBBP (0.52) TSHRLMNASMN1; SMN2CREBBPALDH1A1
SCHEMBL15427017 0.76 SMN1; SMN2 (0.61) TDP1L3MBTL1TSHRLMNAPKM
SCHEMBL16108760 0.75 POLB (0.45) TDP1CREBBPKMT2AALDH1A1HPGD
SCHEMBL880353 0.75 KMT2A (0.63) TDP1L3MBTL1TSHRLMNAPKM
SCHEMBL7156373 0.73 ALDH1A1 (0.58) TDP1L3MBTL1TSHRLMNAPKM
SCHEMBL12698414 0.73 ALDH1A1 (0.58) TDP1L3MBTL1TSHRLMNAPKM
SCHEMBL880376 0.73 ALDH1A1 (0.58) TDP1L3MBTL1TSHRLMNAPKM
SCHEMBL16109625 0.73 SLC6A2 (0.40) CREBBPKMT2AALDH1A1HPGDKDM4E
SCHEMBL880263 0.72 KMT2A (0.60) TDP1L3MBTL1TSHRPKMSMN1; SMN2

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 3 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
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 TDP1 556/4885L3MBTL1 244/4885TSHR 3894/4885

“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.