SCHEMBL2524465

SCHEMBL2524465

CCOC(=O)C(C(=O)c1ccc(Cl)nc1Cl)=C(SC)SC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 5/20 0.33
GAA P10253 3/20 0.33
GPR35 Q9HC97 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.32
DGAT1 O75907 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
PTPN1 P18031 1/20 0.32
RAB9A P51151 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL8286314 0.91 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL1571548 0.82 EGFR (0.35) ALDH1A1SMN1; SMN2DGAT1
SCHEMBL13108209 0.80 KEAP1 (0.46) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL18949530 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL3816097 0.77 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2083264 0.77 MEN1 (0.40) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL2083262 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL29980565 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL2083261 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL29457319 0.76 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4ENPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-7816406-B2 Quinolone analogs CYLENE PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100063046-A1 TETRACYCLIC IMIDAZOLE ANALOGS SENHWA BIOSCIENCES, INC. (TW) 2010-03-11 US disclosed
US-20100063046-A1 TETRACYCLIC IMIDAZOLE ANALOGS SENHWA BIOSCIENCES, INC. (TW) 2010-03-11 US disclosed
WO-2008060693-A2 TETRACYCLIC IMIDAZOLE ANALOGS CYLENE PHARMACEUTICALS, INC. (US) 2008-05-22 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-20100063046-A1 TETRACYCLIC IMIDAZOLE ANALOGS BAD, API5, MCL1 MEN1 1156/4885KMT2A 2089/4885ALDH1A1 3035/4885
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, PAICS, SLCO1B1 MEN1 410/4885KMT2A 3405/4885ALDH1A1 432/4885

“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.