SCHEMBL3897603

SCHEMBL3897603

Cc1cc(-c2ccc(C=C3SC(=S)N(C)C3=O)o2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ MAP3K5 Q99683 5/20 0.52
▸ PTPN22 Q9Y2R2 2/20 0.49
▸ PTPN12 Q05209 1/20 0.49
▸ RECQL P46063 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ DUSP3 P51452 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HIF1AN Q9NWT6 1/20 0.43

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
SCHEMBL3897599 1.00 MAPT (0.62) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL3907023 0.87 POLB (0.61) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL3907019 0.87 POLB (0.61) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL3892188 0.85 MEN1 (0.65) MAPTALDH1A1POLBMAP3K5PTPN22
SCHEMBL3892183 0.85 MEN1 (0.65) MAPTALDH1A1POLBMAP3K5PTPN22
SCHEMBL3906963 0.84 POLB (0.71) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL4248324 0.84 POLB (0.71) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL4248327 0.84 POLB (0.71) MAPTLMNAALDH1A1POLBRAB9A
SCHEMBL3896084 0.84 PTPN22 (0.65) MAPTMAP3K5PTPN22STAT3HIF1AN
SCHEMBL3896088 0.84 PTPN22 (0.65) MAPTMAP3K5PTPN22STAT3HIF1AN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — US disclosed
US-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 — — 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-20060276520-A1 Rhodanine derivatives and pharmaceutical compositions containing them UBQLN1, UBQLN2, UBE2G2 MAPT 1187/4885LMNA 3753/4885ALDH1A1 1828/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAPT 880/4885LMNA 4343/4885ALDH1A1 3199/4885

“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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