SCHEMBL14355149

SCHEMBL14355149

CC(C)(C)c1ccc(CSC(=N)N)cc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.69
IDO1 P14902 17/20 0.68
NOS3 P29474 2/20 0.57
NOS2 P35228 2/20 0.57
SLC11A2 P49281 1/20 0.53

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
Bromide SCHEMBL5047956 0.98 NOS1 (0.67) NOS1IDO1NOS3NOS2
SCHEMBL5450413 0.83 NOS1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL15457414 0.82 IDO1 (0.46) NOS1IDO1
SCHEMBL3773147 0.81 IDO1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL14531250 0.80 EPHX1 (0.48) NOS1IDO1NOS3NOS2
SCHEMBL22275721 0.79 MAPT (0.56) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL3762941 0.78 IDO1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL9198797 0.78 IDO1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
Bromide SCHEMBL22263092 0.78 MAPT (0.54) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL13778152 0.77 EPHX1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 US disclosed
US-9656953-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2017-05-23 US disclosed
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
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2014-08-07 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-8642278-B2 Inhibition of cell proliferation UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-04 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-11-01 US disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 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 (3 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 NOS1 1199/4885IDO1 3165/4885NOS3 1492/4885
US-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS NOS1 3526/4885IDO1 4187/4885NOS3 3705/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS NOS1 3526/4885IDO1 4187/4885NOS3 3705/4885

“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.