SCHEMBL880452

SCHEMBL880452

O=C1CC(c2ccccc2)c2c(cccc2-c2ccccc2)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.52
BRD4 O60885 7/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
LMNA P02545 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL880285 0.90 BRD4 (0.47) CREBBPBRD4SIRT2ALDH1A1TSHR
SCHEMBL880477 0.78 BRD4 (0.48) CREBBPBRD4SIRT2ALDH1A1SMN1; SMN2
SCHEMBL880262 0.77 TDP1 (0.53) CREBBPALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL880376 0.76 ALDH1A1 (0.58) CREBBPBRD4SIRT2ALDH1A1TSHR
SCHEMBL7156373 0.76 ALDH1A1 (0.58) CREBBPBRD4SIRT2ALDH1A1TSHR
SCHEMBL12698414 0.76 ALDH1A1 (0.58) CREBBPBRD4SIRT2ALDH1A1TSHR
SCHEMBL880446 0.75 KMT2A (0.48) CREBBPBRD4SIRT2TSHRSMN1; SMN2
SCHEMBL880346 0.73 TP53 (0.80) SIRT2ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL8300066 0.71 DDB1 (0.67) SIRT2ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL1567424 0.71 DDB1 (0.67) SIRT2ALDH1A1TSHRSMN1; SMN2HSD17B10

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 CREBBP 723/4885BRD4 1019/4885SIRT2 832/4885

“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.