SCHEMBL880429

SCHEMBL880429

O=C1CC(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2N1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 1/20 0.64
LMNA P02545 4/20 0.60
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B10 Q99714 1/20 0.55
IDO1 P14902 3/20 0.46
TP53 P04637 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
POLB P06746 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
SCHEMBL880490 0.88 LMNA (0.62) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL10280293 0.88 LMNA (0.56) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL14047458 0.87 LMNA (0.56) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880281 0.84 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL13522427 0.84 HSD17B10 (0.53) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL852442 0.84 LMNA (0.72) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880249 0.83 MAPT (0.58) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880303 0.83 SMN1; SMN2 (0.61) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL10280618 0.82 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1
SCHEMBL880231 0.82 MAPT (0.68) SMN1; SMN2MAPTHTTLMNAALDH1A1

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 SMN1; SMN2 229/4885MAPT 640/4885HTT 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.