SCHEMBL880243

SCHEMBL880243

O=C1CC(c2ccc(Br)s2)c2ccc3ccccc3c2N1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.59
▸ HSD17B10 Q99714 1/20 0.57
▸ MAPT P10636 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ IDO1 P14902 3/20 0.48
▸ TP53 P04637 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ SIRT2 Q8IXJ6 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
SCHEMBL880369 0.85 LMNA (0.59) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880257 0.85 LMNA (0.59) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880493 0.82 HSD17B10 (0.57) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880251 0.82 LMNA (0.61) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880385 0.80 LMNA (0.65) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880290 0.80 HSD17B10 (0.62) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL880307 0.79 IDO1 (0.70) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL852442 0.78 LMNA (0.72) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL13522397 0.77 MAPT (0.68) LMNAHSD17B10MAPTSMN1; SMN2HTT
SCHEMBL10280624 0.76 LMNA (0.60) 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 4 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

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 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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