SCHEMBL880237

SCHEMBL880237

COc1ccc2c(c1OC)NC(=O)CC2c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TSHR P16473 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ CREBBP Q92793 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTR7 P34969 1/20 0.43

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
SCHEMBL880235 0.86 LMNA (0.51) PKML3MBTL1TDP1TSHRLMNA
SCHEMBL880281 0.75 MAPT (0.68) PKML3MBTL1TDP1KDM4ELMNA
SCHEMBL10280723 0.73 KDM4E (0.56) PKML3MBTL1TDP1TSHRKDM4E
SCHEMBL880268 0.71 LMNA (0.61) L3MBTL1TDP1TSHRKDM4ELMNA
SCHEMBL4972711 0.70 KDM4E (0.58) PKML3MBTL1TDP1TSHRKDM4E
SCHEMBL10280621 0.69 PKM (0.49) PKML3MBTL1TDP1KDM4ELMNA
SCHEMBL880296 0.68 KMT2A (0.74) PKML3MBTL1TDP1KDM4ELMNA
SCHEMBL14942712 0.67 SMN1; SMN2 (0.64) L3MBTL1TDP1LMNAMAPT
SCHEMBL25492286 0.67 PKM (0.52) PKML3MBTL1TDP1TSHRCYP3A4
SCHEMBL21767266 0.67 PKM (0.52) PKML3MBTL1TDP1TSHRLMNA

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 PKM 572/4885L3MBTL1 244/4885TDP1 556/4885

“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.

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