SCHEMBL880251

SCHEMBL880251

O=C1CC(c2cc(Br)cs2)c2ccc3ccccc3c2N1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.61
▸ MAPT P10636 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ IDO1 P14902 3/20 0.47
▸ TP53 P04637 6/20 0.46
▸ POLB P06746 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ MTNR1A P48039 1/20 0.36

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
SCHEMBL10280624 0.87 LMNA (0.60) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880243 0.82 LMNA (0.59) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880385 0.81 LMNA (0.65) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL13522397 0.81 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880290 0.79 HSD17B10 (0.62) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880307 0.78 IDO1 (0.70) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880257 0.77 LMNA (0.59) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880369 0.77 LMNA (0.59) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL852442 0.77 LMNA (0.72) LMNAMAPTSMN1; SMN2HTTHSD17B10
SCHEMBL880435 0.76 MAPT (0.68) LMNAMAPTSMN1; SMN2HTTHSD17B10

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 6 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
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 525/4885MAPT 30/4885SMN1; SMN2 41/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 LMNA 3569/4885MAPT 640/4885SMN1; SMN2 229/4885

“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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