SCHEMBL10280611

SCHEMBL10280611

O=C1CC(c2ccc(F)c(Br)c2)c2ccc3ccccc3c2N1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ LMNA P02545 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.54
▸ ALOX15 P16050 1/20 0.49
▸ TP53 P04637 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ IDO1 P14902 6/20 0.46
▸ ABCC9 O60706 1/20 0.40
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ KCNJ8 Q15842 1/20 0.40

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
SCHEMBL880248 0.90 MAPT (0.64) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL14047471 0.89 LMNA (0.67) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880238 0.86 ALDH1A1 (0.51) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880249 0.84 MAPT (0.58) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL13522397 0.83 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880281 0.83 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880450 0.83 LMNA (0.66) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880438 0.81 LMNA (0.74) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880435 0.81 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880430 0.81 LMNA (0.67) MAPTSMN1; SMN2HTTLMNAALDH1A1

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
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
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 (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 MAPT 640/4885SMN1; SMN2 229/4885HTT 207/4885

“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.

Send feedback