SCHEMBL3033772

SCHEMBL3033772

O=C(O)c1ccccc1NN1C(=O)/C(=C\c2ccc(-c3ccc(OCc4ccccc4)cc3)o2)SC1=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MCL1 Q07820 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ EIF4E P06730 1/20 0.52
▸ EIF4G1 Q04637 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ENPP2 Q13822 1/20 0.51
▸ PTPN22 Q9Y2R2 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ PTPN12 Q05209 1/20 0.48
▸ SYK P43405 1/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ MAP3K5 Q99683 2/20 0.47

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
SCHEMBL3033774 1.00 POLB (0.52) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3041002 0.90 STAT3 (0.51) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3041000 0.90 STAT3 (0.51) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3044098 0.88 MAP3K5 (0.59) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3044096 0.88 MAP3K5 (0.59) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3033250 0.87 ENPP2 (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3033255 0.87 ENPP2 (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3028663 0.87 MAP3K5 (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3028666 0.87 MAP3K5 (0.58) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL3037227 0.86 POLB (0.49) POLBALDH1A1MAPTMEN1KMT2A

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 2 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

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 POLB 1558/4885ALDH1A1 270/4885MAPT 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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