SCHEMBL13056337

SCHEMBL13056337

O=C(O)CN1C(=O)/C(=C/c2ccco2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 9/20 0.75
▸ MEN1 O00255 9/20 0.75
▸ KMT2A Q03164 9/20 0.75
▸ MAPT P10636 6/20 0.75
▸ ALDH1A1 P00352 5/20 0.75
▸ TDP1 Q9NUW8 5/20 0.75
▸ L3MBTL1 Q9Y468 4/20 0.75
▸ RECQL P46063 3/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ APEX1 P27695 2/20 0.75
▸ FFAR1 O14842 1/20 0.75
▸ LMNA P02545 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ALOX12 P18054 1/20 0.70
▸ PSMD14 O00487 2/20 0.64
▸ GAA P10253 2/20 0.63
▸ PLA2G1B P04054 1/20 0.63
▸ MMP2 P08253 1/20 0.63
▸ ATG4B Q9Y4P1 1/20 0.63
▸ ALPL P05186 1/20 0.63

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
SCHEMBL10492212 1.00 POLB (0.75) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL10492218 1.00 POLB (0.75) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3971529 0.88 KMT2A (0.87) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3971531 0.88 KMT2A (0.87) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8181657 0.87 KDR (0.69) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL8181654 0.87 KDR (0.69) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3893459 0.86 MAPT (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3893463 0.86 MAPT (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3892662 0.84 MAPT (0.92) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL3892665 0.84 MAPT (0.92) POLBMEN1KMT2AMAPTALDH1A1

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-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 — — US disclosed
US-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-25 — — US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 — — US disclosed
US-7718680-B2 Inhibition of lethal factor protease activity from anthrax toxin BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-05-18 — — US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 — — US disclosed
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-02-07 — — 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 (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-20100298390-A1 INHIBITION OF LETHAL FACTOR PROTEASE ACTIVITY FROM ANTHRAX TOXIN APAF1, ANTXR2, SERPINB1 POLB 3499/4885MEN1 2660/4885KMT2A 3456/4885
US-20080033025-A1 Inhibition of lethal factor protease activity from anthrax toxin APAF1, ANTXR2, SERPINB1 POLB 3499/4885MEN1 2660/4885KMT2A 3456/4885

“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.

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