SCHEMBL3712753

SCHEMBL3712753

O=C(OCCSc1ccc([N+](=O)[O-])c2nonc12)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 20/20 0.65
GSTM2 P28161 20/20 0.65

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
SCHEMBL17232433 0.90 GSTP1 (0.51) GSTP1GSTM2
SCHEMBL14959168 0.89 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL26425058 0.88 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL26424984 0.80 IDO1 (0.58) GSTP1GSTM2
SCHEMBL17232453 0.80 GSTP1 (0.52) GSTP1GSTM2
SCHEMBL3502370 0.79 GSTP1 (0.74) GSTP1GSTM2
SCHEMBL26424615 0.78 GSTP1 (0.55) GSTP1GSTM2
SCHEMBL300204 0.77 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL13997681 0.76 GSTP1 (0.66) GSTP1GSTM2
SCHEMBL13906505 0.76 GSTP1 (0.76) GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128972-A1 Anat Inhibitors and Methods of Use Thereof Atomwise Inc. 2023-04-27 US disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-8445537-B2 Compounds that inhibit human DNA ligases and methods of treating cancer STC.UNM (US) 2013-05-21 US disclosed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 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-20230128972-A1 Anat Inhibitors and Methods of Use Thereof AANAT, CHAT, NAT1 GSTP1 624/4885GSTM2 510/4885
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS GSTP1 1679/4885GSTM2 2265/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 GSTP1 2223/4885GSTM2 1851/4885

“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.