SCHEMBL3762941

SCHEMBL3762941

Cc1ccc(CSC(=N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 1.00
NOS1 P29475 3/20 0.78
TAAR1 Q96RJ0 1/20 0.65
NOS3 P29474 2/20 0.63
NOS2 P35228 2/20 0.63
SLC11A2 P49281 1/20 0.59

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 SCHEMBL5042180 0.98 IDO1 (0.96) IDO1NOS1TAAR1NOS3NOS2
SCHEMBL5450413 0.89 NOS1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL9198797 0.83 IDO1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL3680445 0.81 IDO1 (0.68) IDO1NOS1TAAR1NOS3NOS2
SCHEMBL29271495 0.81 IDO1 (0.68) IDO1NOS1TAAR1
SCHEMBL15457424 0.80 IDO1 (0.67) IDO1NOS1TAAR1NOS3NOS2
Bromide SCHEMBL4006714 0.79 TAAR1 (0.66) IDO1NOS1TAAR1NOS3NOS2
SCHEMBL3779731 0.78 IDO1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL3763030 0.78 NOS1 (0.78) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL3321590 0.78 IDO1 (1.00) IDO1NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO claimed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 US claimed
US-20190119436-A1 ANTIMICROBIAL POLYMERIC PARTICLES BAR-ILAN RESEARCH & DEVELOPMENT COMPANY LTD (IL) 2019-04-25 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-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-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 US disclosed
CN-1925859-B 4-(sulfanyl-pyrimidin-4-ylmethyl)-morpholine derivatives and related compounds as GABA receptor ligands for the treatment of anxiety, depression and epilepsy HOFFMANN LA ROCHE 2010-11-24 CN 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-2007075177-A2 ANTIBIOTICS TARGETING MREB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-07-05 WO disclosed
WO-2007062222-A2 INHIBITION OF CELL PROLIFERATION UNIVERSITY OF SOUTH FLORIDA (US) 2007-05-31 WO disclosed
CN-1925859-A 4-(sulfanyl-pyrimidin-4-ylmethyl)-morpholine derivatives and related compounds as GABA receptor ligands for the treatment of anxiety, depression and epilepsy HOFFMANN LA ROCHE (CH) 2007-03-07 CN disclosed
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 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 (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-20070254318-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885NOS1 3526/4885TAAR1 4545/4885
US-20060241185-A1 Antibiotics targeting MreB SMC4, INCENP, DDB1 IDO1 2985/4885NOS1 4294/4885TAAR1 4402/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885NOS1 3526/4885TAAR1 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.