SCHEMBL3900350

SCHEMBL3900350

CCCN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.78
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
TNFRSF1A P19438 1/20 0.63
USP2 O75604 1/20 0.60
DNMT1 P26358 1/20 0.60
BLM P54132 1/20 0.60
ENPP2 Q13822 1/20 0.59
INSR P06213 1/20 0.58
IGF1R P08069 1/20 0.58
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
MCL1 Q07820 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL3900346 1.00 MAP3K5 (0.78) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3136515 0.93 MAP3K5 (0.76) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3136503 0.93 MAP3K5 (0.76) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3126751 0.93 MAP3K5 (0.76) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3905850 0.89 MAP3K5 (0.77) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3905845 0.89 MAP3K5 (0.77) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL6282271 0.89 MAP3K5 (0.77) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3899822 0.88 MAP3K5 (1.00) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL3899825 0.88 MAP3K5 (1.00) MAP3K5MEN1KMT2AALDH1A1MAPT
SCHEMBL17319548 0.88 MAP3K5 (1.00) MAP3K5MEN1KMT2AALDH1A1MAPT

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
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-20090137644-A1 RHODANINE COMPOSITIONS FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2009-05-28 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 (1 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-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.