SCHEMBL3898764

SCHEMBL3898764

Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.61
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
POLB P06746 6/20 0.59
MAPT P10636 6/20 0.59
ALDH1A1 P00352 6/20 0.59
RAB9A P51151 4/20 0.59
HPGD P15428 2/20 0.59
ALOX12 P18054 1/20 0.59
USP2 O75604 1/20 0.58
DNMT1 P26358 1/20 0.58
BLM P54132 1/20 0.58
INSR P06213 1/20 0.56
IGF1R P08069 1/20 0.56
LMNA P02545 3/20 0.55
MAPK1 P28482 3/20 0.55
RECQL P46063 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
MCL1 Q07820 1/20 0.55

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
SCHEMBL3898771 1.00 MAP3K5 (0.61) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3894534 0.92 MAP3K5 (0.68) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3894527 0.92 MAP3K5 (0.68) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3895157 0.88 MEN1 (0.54) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3895153 0.88 MEN1 (0.54) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL6791360 0.87 MAP3K5 (0.66) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3908225 0.87 MAP3K5 (0.58) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3908222 0.87 MAP3K5 (0.58) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL6276518 0.87 MAP3K5 (0.58) MAP3K5MEN1KMT2APOLBMAPT
SCHEMBL3892418 0.84 HTRA2 (0.61) MEN1KMT2APOLBMAPTALDH1A1

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 MAP3K5 1092/4885MEN1 1562/4885KMT2A 901/4885
US-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RBX1, ITCH, UBQLN1 MAP3K5 1460/4885MEN1 2869/4885KMT2A 1020/4885

“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.