SCHEMBL880385

SCHEMBL880385

O=C1CC(c2cccs2)c2ccc3ccccc3c2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.65
▸ HSD17B10 Q99714 1/20 0.59
▸ MAPT P10636 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ IDO1 P14902 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 4/20 0.44
▸ ATM Q13315 1/20 0.42
▸ MTNR1A P48039 1/20 0.38

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
SCHEMBL880251 0.81 LMNA (0.61) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880307 0.81 IDO1 (0.70) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL10280624 0.81 LMNA (0.60) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880369 0.80 LMNA (0.59) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880243 0.80 LMNA (0.59) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880257 0.80 LMNA (0.59) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL852442 0.80 LMNA (0.72) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880305 0.79 LMNA (0.61) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880387 0.79 LMNA (1.00) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL10280365 0.78 LMNA (0.66) LMNAHSD17B10MAPTSMN1; SMN2HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 — — US disclosed
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
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 — — WO 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 1950/4885MAPT 30/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885HSD17B10 3617/4885MAPT 640/4885

“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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