SCHEMBL3773147

SCHEMBL3773147

N=C(N)SCc1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 1.00
NOS1 P29475 2/20 0.69
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
ALDH1A1 P00352 2/20 0.56
ALDH2 P05091 2/20 0.56
ALDH3A1 P30838 2/20 0.56
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
SCHEMBL5450413 0.83 NOS1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL13007587 0.81 SLC11A2 (0.69) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL14355149 0.81 NOS1 (0.69) IDO1NOS1NOS3NOS2SLC11A2
SCHEMBL11451060 0.80 IDO1 (0.67) IDO1NOS1NOS3NOS2ALDH1A1
Hydrochloric Acid SCHEMBL11778578 0.79 IDO1 (0.69) IDO1NOS1NOS3NOS2ALDH1A1
Bromide SCHEMBL5047956 0.79 NOS1 (0.67) IDO1NOS1NOS3NOS2
SCHEMBL22275640 0.79 IDO1 (0.65) IDO1NOS1NOS3NOS2ALDH1A1
SCHEMBL3771466 0.78 IDO1 (1.00) IDO1NOS1NOS3NOS2SLC11A2
Bromide SCHEMBL22262961 0.78 IDO1 (0.63) IDO1NOS1NOS3NOS2ALDH1A1
SCHEMBL9612336 0.76 IDO1 (0.61) 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 15 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-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-7855228-B2 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STAMFORD JUNIOR UNIVERSITY (US) 2010-12-21 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-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
US-20060241185-A1 Antibiotics targeting MreB THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-10-26 US disclosed
US-4208430-A CARBAMIMIDOTHIOIC ACID PHENYLALKYL ESTERS SMITHKLINE CORPORATION (US) 1980-06-17 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 3526/4885NOS3 3705/4885
US-20060241185-A1 Antibiotics targeting MreB SMC4, INCENP, DDB1 IDO1 2985/4885NOS1 4294/4885NOS3 4511/4885
US-20140221658-A1 INHIBITION OF CELL PROLIFERATION RB1, RAF1, NRAS IDO1 4187/4885NOS1 3526/4885NOS3 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.