SCHEMBL3904138

SCHEMBL3904138

CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ KDM4E B2RXH2 5/20 0.64
▸ TDP1 Q9NUW8 4/20 0.64
▸ HTT P42858 2/20 0.64
▸ KMT2A Q03164 12/20 0.62
▸ MEN1 O00255 11/20 0.62
▸ POLB P06746 6/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ RECQL P46063 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ PKM P14618 3/20 0.57
▸ IKBKB O14920 4/20 0.52
▸ ALOX12 P18054 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ RAB9A P51151 3/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ SMN1; SMN2 Q16637 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
SCHEMBL3904141 1.00 MAPT (0.64) MAPTALDH1A1KDM4ETDP1HTT
SCHEMBL3892587 0.83 IKBKB (0.62) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL3896181 0.83 MAP3K5 (0.64) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL3892593 0.83 IKBKB (0.62) MAPTALDH1A1TDP1KMT2AMEN1
SCHEMBL3896176 0.83 MAP3K5 (0.64) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL3897874 0.83 MAPT (0.65) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL3897777 0.83 MEN1 (0.65) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL3897769 0.83 MEN1 (0.65) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL3897872 0.83 MAPT (0.65) MAPTALDH1A1KDM4ETDP1KMT2A
SCHEMBL3892687 0.83 MAPT (0.64) MAPTALDH1A1KDM4ETDP1HTT

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 11 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
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO claimed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
US-7566732-B2 Rhodanine compositions for use as antiviral agents RIGEL PHARMACEUTICALS, INC. (US) 2009-07-28 — — US disclosed
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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 — — 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
WO-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 — — WO disclosed
WO-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 — — 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 (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 1187/4885ALDH1A1 1828/4885KDM4E 1357/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAPT 880/4885ALDH1A1 3199/4885KDM4E 754/4885

“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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