SCHEMBL13256352

SCHEMBL13256352

N=C(N)NC(=N)SCc1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.51
NOS1 P29475 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
BACE1 P56817 2/20 0.38
SLC11A2 P49281 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ALDH3A1 P30838 1/20 0.35

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
SCHEMBL14355146 0.83 IDO1 (0.73) IDO1NOS1BACE1SLC11A2
SCHEMBL15457415 0.77 IDO1 (0.50) IDO1NOS1MAPTMAPK1BACE1
Hydrochloric Acid SCHEMBL3395144 0.76 IDO1 (0.52) IDO1NOS1BACE1SLC11A2
SCHEMBL17198979 0.74 SIGMAR1 (0.41) IDO1MAPTMAPK1
SCHEMBL13256337 0.74 IDO1 (0.50) IDO1MAPTBACE1
SCHEMBL13256348 0.74 BACE1 (0.71) IDO1MAPK1BACE1ALDH1A1
SCHEMBL13256318 0.74 SLC11A2 (0.44) IDO1NOS1SLC11A2
SCHEMBL13256346 0.74 IDO1 (0.53) IDO1MAPK1
Benzylamidinoisothiourea SCHEMBL13460125 0.73 IDO1 (0.62) IDO1NOS1SLC11A2ALDH1A1
Benzylamidinoisothiourea SCHEMBL10658003 0.72 IDO1 (0.63) IDO1NOS1SLC11A2ALDH1A1

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 4276/4885NOS1 4083/4885MAPT 3965/4885

“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.