SCHEMBL3039986

SCHEMBL3039986

O=C(O)c1ccccc1NN1C(=O)/C(=C\c2ccc(-c3cccc(-c4ccccc4)c3)o2)SC1=S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.54
▸ POLB P06746 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ EIF4E P06730 1/20 0.53
▸ EIF4G1 Q04637 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ BLM P54132 2/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51

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
SCHEMBL3039991 1.00 APEX1 (0.54) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3030691 0.91 MAPT (0.55) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3030688 0.91 MAPT (0.55) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3029002 0.90 MAP3K5 (0.59) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3028998 0.90 MAP3K5 (0.59) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3030749 0.90 POLB (0.49) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3030752 0.90 POLB (0.49) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3033520 0.89 MEN1 (0.51) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3033521 0.89 MEN1 (0.51) APEX1POLBMAPTMEN1KMT2A
SCHEMBL3037637 0.88 ENPP2 (0.58) APEX1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 — — US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 — — US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 — — 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 (1 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 APEX1 2575/4885POLB 1558/4885MAPT 3973/4885

“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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