SCHEMBL880352

SCHEMBL880352

COc1cccc(C2CC(=O)Nc3cc(C)c(C)cc32)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
NPC1 O15118 1/20 0.73
LMNA P02545 2/20 0.64
GAA P10253 2/20 0.64
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 1/20 0.55
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53

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
SCHEMBL880441 0.85 MEN1 (0.69) KMT2AMEN1NPC1LMNAGAA
SCHEMBL10280290 0.82 LMNA (0.70) KMT2AMEN1NPC1LMNAGAA
SCHEMBL880353 0.81 KMT2A (0.63) KMT2AMEN1NPC1LMNAGAA
SCHEMBL8303883 0.80 DDB1 (0.74) KMT2AMEN1NPC1LMNAGAA
SCHEMBL30866425 0.78 KMT2A (0.60) KMT2AMEN1NPC1GAATDP1
SCHEMBL880263 0.78 KMT2A (0.60) KMT2AMEN1NPC1GAATDP1
SCHEMBL880459 0.76 SMN1; SMN2 (0.66) KMT2AMEN1LMNAGAATDP1
SCHEMBL11852432 0.76 MEN1 (0.58) KMT2AMEN1NPC1TDP1L3MBTL1
SCHEMBL13522431 0.75 KMT2A (0.58) KMT2AMEN1NPC1LMNAGAA
SCHEMBL880218 0.75 ALDH1A1 (0.61) KMT2AMEN1LMNAGAATDP1

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 4 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

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-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 KMT2A 4389/4885MEN1 3940/4885NPC1 3/4885

“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.