SCHEMBL3036975

SCHEMBL3036975

O=C(O)c1cccc(NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.59
▸ HIF1AN Q9NWT6 1/20 0.58
▸ STAT3 P40763 1/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ MCL1 Q07820 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ MAP3K5 Q99683 3/20 0.53
▸ POLB P06746 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ BLM P54132 2/20 0.51
▸ EIF4E P06730 1/20 0.51
▸ EIF4G1 Q04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3036977 1.00 APEX1 (0.59) APEX1HIF1ANSTAT3MEN1KMT2A
SCHEMBL3033780 0.89 STAT3 (0.64) APEX1HIF1ANSTAT3MEN1KMT2A
SCHEMBL3033782 0.89 STAT3 (0.64) APEX1HIF1ANSTAT3MEN1KMT2A
SCHEMBL3036197 0.87 MAP3K5 (0.62) APEX1MEN1KMT2ATDP1MCL1
SCHEMBL3036194 0.87 MAP3K5 (0.62) APEX1MEN1KMT2ATDP1MCL1
SCHEMBL3040354 0.85 MAP3K5 (0.61) APEX1STAT3MEN1KMT2ATDP1
SCHEMBL3040356 0.85 MAP3K5 (0.61) APEX1STAT3MEN1KMT2ATDP1
SCHEMBL13220182 0.81 MAPT (0.67) APEX1STAT3MEN1KMT2ATDP1
SCHEMBL20339299 0.77 STAT3 (0.74) APEX1HIF1ANSTAT3MEN1KMT2A
SCHEMBL20339302 0.77 STAT3 (0.74) APEX1HIF1ANSTAT3MEN1KMT2A

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 2575/4885HIF1AN 388/4885STAT3 3058/4885

“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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