SCHEMBL2453690

SCHEMBL2453690

N=C(N)SCc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.71
IDO1 P14902 16/20 0.63
NOS3 P29474 1/20 0.63
NOS2 P35228 1/20 0.63
SLC11A2 P49281 1/20 0.59
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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 SCHEMBL5900169 0.98 NOS1 (0.68) NOS1IDO1NOS3NOS2SLC11A2
Hydrochloric Acid SCHEMBL6867456 0.98 NOS1 (0.68) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL5450413 0.84 NOS1 (1.00) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL17342524 0.82 ALDH1A1 (0.79) NOS1IDO1NOS3NOS2ALDH1A1
SCHEMBL28155965 0.81 ALDH1A1 (0.52) NOS1IDO1NOS3NOS2ALDH1A1
SCHEMBL15457403 0.78 ALDH1A1 (0.54) NOS1IDO1NOS3NOS2ALDH1A1
Hydrochloric Acid SCHEMBL11186538 0.77 IDO1 (0.65) NOS1IDO1NOS3NOS2SLC11A2
Hydrochloric Acid SCHEMBL1770359 0.77 IDO1 (0.65) NOS1IDO1NOS3NOS2SLC11A2
SCHEMBL18197946 0.77 SLC11A2 (0.58) NOS1IDO1NOS3NOS2SLC11A2
Benzyl Carbamimidothioate SCHEMBL974745 0.77 IDO1 (1.00) NOS1IDO1NOS3NOS2SLC11A2

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
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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030810-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO disclosed
WO-2010030811-A2 CARBACEPHEM β-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-03-18 WO 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
EP-1056771-B1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-11-30 EP disclosed
EP-1056771-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-12-06 EP disclosed
WO-1999043699-A1 STREPTOGRAMIN DERIVATIVES, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-09-02 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-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M NOS1 3314/4885IDO1 2104/4885NOS3 3952/4885
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.