SCHEMBL13043702

SCHEMBL13043702

CCN(CC)c1ccc2c(-c3ccc(N)cc3C(=O)CCSC)c3ccc(=[N+](CC)CC)cc-3oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ FPR2 P25090 4/20 0.47
▸ TGM2 P21980 1/20 0.45
▸ CHRM1 P11229 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ P2RY6 Q15077 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12324293 0.91 USP2 (0.55) USP2MEN1POLBPPARGBLM
SCHEMBL13043464 0.90 MEN1 (0.56) USP2MEN1POLBPPARGBLM
SCHEMBL13428310 0.88 USP2 (0.59) USP2MEN1POLBPPARGBLM
Hydrochloric Acid SCHEMBL29442119 0.87 USP2 (0.59) USP2MEN1POLBPPARGBLM
SCHEMBL21878601 0.87 USP2 (0.61) USP2MEN1POLBPPARGBLM
SCHEMBL13428252 0.84 USP2 (0.59) USP2MEN1POLBPPARGBLM
SCHEMBL13043466 0.82 MEN1 (0.55) USP2MEN1POLBPPARGBLM
SCHEMBL17663659 0.80 MEN1 (0.60) USP2MEN1POLBPPARGBLM
SCHEMBL17552990 0.80 MEN1 (0.63) USP2MEN1POLBPPARGBLM
SCHEMBL12673518 0.79 MEN1 (0.59) USP2MEN1POLBPPARGBLM

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-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-7704284-B2 Xanthene dyes CIBA CORPORATION (US) 2010-04-27 — — US disclosed
US-20090265866-A1 Xanthene Dyes CIBA CORP. 2009-10-29 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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-20090265866-A1 Xanthene Dyes KRT18, OR10J3, H1-10 USP2 3475/4885MEN1 4120/4885POLB 3257/4885
US-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA USP2 2542/4885MEN1 4052/4885POLB 1567/4885

“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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