SCHEMBL4896028

SCHEMBL4896028

CC/C(=N\C#N)Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPK10 P53779 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL4896033 1.00 TP53 (0.41) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL14020631 1.00 TP53 (0.41) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL4095153 0.75 ALDH1A1 (0.44) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL4092695 0.75 ALDH1A1 (0.43) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL4095154 0.75 ALDH1A1 (0.44) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL4104086 0.75 ALDH1A1 (0.43) TP53MAPK10MAPTALDH1A1HTT
SCHEMBL28964283 0.74 ALDH1A1 (0.41) TP53MAPK10MAPTALDH1A1GAA
Potassium Ion SCHEMBL23930585 0.72 ALDH1A1 (0.40) TP53MAPK10MAPTALDH1A1GAA
Potassium Ion SCHEMBL23930588 0.72 ALDH1A1 (0.40) TP53MAPK10MAPTALDH1A1GAA
SCHEMBL17238089 0.72 ALDH1A1 (0.40) TP53MAPK10MAPTALDH1A1GAA

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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 TP53 4858/4885MAPK10 2744/4885MAPT 1814/4885

“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.