SCHEMBL18483030

SCHEMBL18483030

NC(=S)N=C1C=CC(=O)C=C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34

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
SCHEMBL14625722 0.78 MIF (0.60) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL26923622 0.76 TDP1 (0.57) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL28301048 0.73 ALDH1A1 (0.53) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL28873562 0.71 TDP1 (0.50) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL5963896 0.67 TDP1 (0.61) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL29032303 0.66 TDP1 (0.73) MIFALDH1A1BCHEPOLBMAOA
SCHEMBL15805139 0.66 — —
Benzoquinone SCHEMBL27473702 0.64 TDP1 (0.57) MIFALDH1A1BCHEPOLBMAOA
Water SCHEMBL19744836 0.64 MIF (0.48) MIFALDH1A1BCHEPOLBMAOA
Benzoquinone SCHEMBL28211057 0.62 TDP1 (0.80) MIFALDH1A1BCHEPOLBMAOA

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-20230142627-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS POP TEST ONCOLOGY LLC (US) 2023-05-11 — — US disclosed
US-11576921-B2 Pharmaceutical compositions and methods POP TEST ONCOLOGY LLC (US) 2023-02-14 — — US disclosed
US-20170128465-A1 Pharmaceutical Compositions and Methods POP TEST ONCOLOGY LLC (US) 2017-05-11 — — US disclosed
US-9598459-B2 Pharmaceutical compositions and methods POP TEST ONCOLOGY LLC (US) 2017-03-21 — — US disclosed
US-20170051007-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS POP TEST ONCOLOGY LLC 2017-02-23 — — US disclosed
WO-2017023694-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS POP TEST ONCOLOGY LLC (US) 2017-02-09 — — 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 (4 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-20170051007-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS NR3C2, NR3C1, MC2R MIF 824/4885ALDH1A1 1768/4885BCHE 2907/4885
US-20170128465-A1 Pharmaceutical Compositions and Methods NR3C2, NR3C1, MC2R MIF 824/4885ALDH1A1 1768/4885BCHE 2907/4885
US-11576921-B2 Pharmaceutical compositions and methods NR3C2, NR3C1, MC2R MIF 824/4885ALDH1A1 1768/4885BCHE 2907/4885
US-20230142627-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS NR3C2, NR3C1, MC2R MIF 824/4885ALDH1A1 1768/4885BCHE 2907/4885

“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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