SCHEMBL5045935

SCHEMBL5045935

COc1ccc(CSC(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 1.00
NOS1 P29475 3/20 0.69
CYP1A2 P05177 1/20 0.65
GAA P10253 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C19 P33261 1/20 0.65
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
Hydrochloric Acid SCHEMBL489767 0.98 IDO1 (1.00) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL9196121 0.84 NOS1 (0.72) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL5450413 0.83 NOS1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL3690550 0.83 IDO1 (0.71) IDO1NOS1CYP1A2GAACYP2D6
Bromide SCHEMBL4002281 0.81 IDO1 (0.69) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL14336143 0.81 IDO1 (0.68) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL6571602 0.80 IDO1 (0.67) IDO1
Hydrochloric Acid SCHEMBL8470380 0.80 IDO1 (0.69) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL22275731 0.79 IDO1 (0.65) IDO1NOS1CYP1A2GAACYP2D6
SCHEMBL14865015 0.79 BACE1 (0.66) IDO1NOS1CYP1A2GAACYP2D6

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 37 patents — showing the first 20. 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
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-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
US-7351700-B2 Aminomethylpyrimidines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-04-01 US disclosed
US-7303863-B2 Silver halide emulsion and silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2007-12-04 US disclosed
US-7303863-B2 Silver halide emulsion and silver halide photographic light-sensitive material FUJIFILM CORPORATION (JP) 2007-12-04 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
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 WO disclosed
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 US disclosed
EP-0237347-B1 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1991-06-12 EP disclosed
EP-0236902-B1 1,2,3,4-TETRAHYDRO-6-SUBSTITUTED-4-ARYL(OR HETEROCYCLO)-3-SUBSTITUTED-2-THIOXO (OR OXO)-5-PYRIMIDINECARBOXYLIC ACIDS AND ESTERS E.R. Squibb & Sons, Inc. (US) 1990-12-05 EP disclosed
US-4855301-A 1,2,3,4-Tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-((substituted amino)carbonyl)-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E. R. SQUIBB & SONS, INC. (US) 1989-08-08 US disclosed
EP-0236902-A1 1,2,3,4-tetrahydro-6-substituted-4-aryl(or heterocyclo)-3-substituted-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed
EP-0237347-A2 1,2,3,4-Tetrahydro-6-substituted-4-aryl (or heterocyclo)-3-[(substituted amino)carbonyl]-2-thioxo (or oxo)-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1987-09-16 EP disclosed
US-4684656-A 1,2,3,4-tetrahydro-6-substituted-4-aryl-3-(substituted sulfonyl)-2-thioxo(or oxo)-5-pyrimidinecarboxylic acids and esters and method of using them to lower blood pressure E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US disclosed
US-4684655-A 1,2,3,4-tetrahydro-6-substituted-4-aryl-3-substituted-2-thioxo(or oxo)-5-pyrimidinecarboxylic acids and esters and use thereof to lower blood pressure E. R. SQUIBB & SONS, INC. (US) 1987-08-04 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP 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 (2 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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885NOS1 3526/4885CYP1A2 4601/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885NOS1 3526/4885CYP1A2 4601/4885

“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.