SCHEMBL13522397

SCHEMBL13522397

O=C1CC(c2cccc(Br)c2)c2ccc3ccccc3c2N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HTT P42858 1/20 0.68
LMNA P02545 4/20 0.63
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 3/20 0.51
POLB P06746 2/20 0.51
SIRT2 Q8IXJ6 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
IDO1 P14902 2/20 0.49

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
SCHEMBL852442 0.87 LMNA (0.72) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL852380 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10280618 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880231 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880435 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880281 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL10280611 0.83 MAPT (0.60) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880438 0.82 LMNA (0.74) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL880429 0.82 SMN1; SMN2 (0.64) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL851899 0.82 SMN1; SMN2 (0.64) 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
US-20130289022-A1 TETRAMERIC ALPHA-SYNUCLEIN AND USE THEREOF BRANDEIS UNIVERSITY (US) 2013-10-31 US 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.