SCHEMBL15928217

SCHEMBL15928217

Cc1ccc(CSC(=N)N)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.51
MAPT P10636 1/20 0.51
TAAR1 Q96RJ0 3/20 0.49
HTT P42858 4/20 0.45
NOS1 P29475 1/20 0.42
SLC11A2 P49281 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATP1A1 P05023 1/20 0.40
ATP1B1 P05026 1/20 0.40
ATP1A3 P13637 1/20 0.40
ATP1B2 P14415 1/20 0.40
ATP1A2 P50993 1/20 0.40
ATP1B3 P54709 1/20 0.40
FXYD2 P54710 1/20 0.40
ATP1A4 Q13733 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39

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
SCHEMBL15457426 0.86 SMN1; SMN2 (0.35) IDO1MAPTTAAR1HTTSMN1; SMN2
SCHEMBL3773680 0.83 IDO1 (0.61) IDO1MAPTTAAR1HTTNOS1
SCHEMBL22275783 0.80 MAPT (0.67) IDO1MAPTTAAR1HTTNOS1
Bromide SCHEMBL22263193 0.79 MAPT (0.65) IDO1MAPTTAAR1HTTNOS1
SCHEMBL3777472 0.79 MAPT (0.65) IDO1MAPTTAAR1HTTNOS1
SCHEMBL13007589 0.78 IDO1 (0.57) IDO1MAPTTAAR1HTTNOS1
Bromide SCHEMBL17260892 0.76 IDO1 (0.56) IDO1MAPTTAAR1HTTNOS1
SCHEMBL19499684 0.76 MAPT (0.65) IDO1MAPTTAAR1HTTNOS1
SCHEMBL14099906 0.75 SMN1; SMN2 (0.43) IDO1SMN1; SMN2
SCHEMBL14224743 0.73 SMN1; SMN2 (0.42) IDO1TAAR1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 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-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885MAPT 3541/4885TAAR1 4545/4885

“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.