SCHEMBL3907023

SCHEMBL3907023

CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.61
▸ MAPT P10636 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 2/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ MAP3K5 Q99683 5/20 0.54
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MCL1 Q07820 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ EIF4G1 Q04637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ PTPN12 Q05209 2/20 0.48
▸ PTPN22 Q9Y2R2 2/20 0.48
▸ PKM P14618 1/20 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
SCHEMBL3907019 1.00 POLB (0.61) POLBMAPTALDH1A1LMNARAB9A
SCHEMBL6092688 0.89 MAP3K5 (0.59) POLBMAPTALDH1A1MAP3K5MEN1
SCHEMBL6092684 0.89 MAP3K5 (0.59) POLBMAPTALDH1A1MAP3K5MEN1
SCHEMBL3894146 0.88 STAT3 (0.60) POLBMAPTALDH1A1MAP3K5MEN1
SCHEMBL3894155 0.88 STAT3 (0.60) POLBMAPTALDH1A1MAP3K5MEN1
SCHEMBL3897603 0.87 MAPT (0.62) POLBMAPTALDH1A1LMNARAB9A
SCHEMBL3897599 0.87 MAPT (0.62) POLBMAPTALDH1A1LMNARAB9A
SCHEMBL7859663 0.87 ALDH1A1 (0.69) POLBMAPTALDH1A1LMNARAB9A
SCHEMBL3895615 0.84 MEN1 (0.65) POLBMAPTALDH1A1MAP3K5MEN1
SCHEMBL3895622 0.84 MEN1 (0.65) POLBMAPTALDH1A1MAP3K5MEN1

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 POLB 2008/4885MAPT 1187/4885ALDH1A1 1828/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 POLB 433/4885MAPT 880/4885ALDH1A1 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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