SCHEMBL19002811

SCHEMBL19002811

CCCC(=O)Nc1cc(F)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 5/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GRK2 P25098 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 1/20 0.53
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 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
SCHEMBL13018932 0.86 SMN1; SMN2 (0.59) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL23417745 0.85 POLB (0.51) POLBMAPTPKMALDH1A1GAA
SCHEMBL3078183 0.85 SMN1; SMN2 (0.58) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL18997647 0.84 SMN1; SMN2 (0.54) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL23222224 0.83 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL21900756 0.83 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL19049554 0.83 SMN1; SMN2 (0.53) SMN1; SMN2POLBMAPTPKMALDH1A1
SCHEMBL28135499 0.81 MAPK1 (0.50) SMN1; SMN2POLBPKMALDH1A1GAA
SCHEMBL15480425 0.80 HDAC1 (0.63) SMN1; SMN2POLBPKMALDH1A1GRK2
SCHEMBL2190433 0.79 POLB (0.59) SMN1; SMN2POLBMAPTPKMALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885POLB 1589/4885MAPT 2731/4885

“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.