SCHEMBL880305

SCHEMBL880305

Cc1ccsc1C1CC(=O)Nc2c1ccc1ccccc21

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.61
▸ HSD17B10 Q99714 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.48
▸ IDO1 P14902 2/20 0.47
▸ TP53 P04637 6/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL14047395 0.81 HSD17B10 (0.62) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880385 0.79 LMNA (0.65) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL15359717 0.79 LMNA (0.53) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880307 0.78 IDO1 (0.70) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880388 0.78 LMNA (0.66) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880369 0.77 LMNA (0.59) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL852442 0.77 LMNA (0.72) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880387 0.76 LMNA (1.00) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL880231 0.76 MAPT (0.68) LMNAHSD17B10ALDH1A1MAPK1TDP1
SCHEMBL10280319 0.75 LMNA (0.72) LMNAHSD17B10ALDH1A1MAPK1TDP1

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
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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 — — US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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 (2 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 LMNA 525/4885HSD17B10 1950/4885ALDH1A1 171/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885HSD17B10 3617/4885ALDH1A1 3699/4885

“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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