SCHEMBL13256339

SCHEMBL13256339

N=C(N)NC(=N)SCc1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.40
AGXT P21549 2/20 0.40
MAPK8 P45983 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 3/20 0.35
BACE1 P56817 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPO P05164 1/20 0.32
HTR2A P28223 1/20 0.32
ALDH3A1 P30838 1/20 0.32

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
SCHEMBL13256337 0.85 IDO1 (0.50) IDO1HTTBACE1KDM4EMAPT
SCHEMBL3769133 0.82 IDO1 (0.59) IDO1AGXTHTTALDH1A1BACE1
SCHEMBL27984974 0.76 IDO1 (0.50) IDO1AGXTMAPK8ALDH1A1BACE1
Hydrochloric Acid SCHEMBL3393428 0.75 IDO1 (0.41) IDO1AGXTMAPK8HTTALDH1A1
SCHEMBL13256355 0.73 BACE1 (0.54) IDO1ALDH1A1BACE1KDM4EMAPT
SCHEMBL13256341 0.73 IDO1 (0.69) IDO1HTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL538102 0.71 IDO1 (0.47) IDO1AGXTMAPK8AURKARPS6KB1
SCHEMBL13256352 0.71 IDO1 (0.51) IDO1ALDH1A1BACE1MAPTALDH3A1
SCHEMBL13256348 0.71 BACE1 (0.71) IDO1HTTALDH1A1BACE1KDM4E
SCHEMBL22275619 0.70 IDO1 (0.61) IDO1HTTALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184851-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 US disclosed
US-20100184851-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-07-22 US disclosed
WO-2010025448-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2010-03-04 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-20100184851-A1 INHIBITION OF CELL PROLIFERATION MKI67, RB1, RAF1 IDO1 4276/4885AGXT 4295/4885MAPK8 532/4885

“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.