SCHEMBL4190123

SCHEMBL4190123

C=CCSc1n[nH]c(-c2cccs2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 1.00
▸ GRK6 P43250 2/20 0.62
▸ HPGD P15428 12/20 0.62
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ GAA P10253 2/20 0.49
▸ LMNA P02545 2/20 0.48

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
SCHEMBL11119319 0.81 KDM4E (0.68) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL8671162 0.77 HPGD (1.00) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL4204449 0.76 GRK6 (0.79) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL9596934 0.72 HPGD (0.64) KDM4EHPGDALDH1A1MAPTCYP1A2
SCHEMBL14752770 0.71 HPGD (0.74) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL2482181 0.71 HPGD (0.74) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL14611711 0.70 KDM4E (0.54) KDM4EHPGDALDH1A1MAPTCYP1A2
SCHEMBL8043319 0.69 KDM4E (0.53) KDM4EGRK6HPGDALDH1A1MAPT
SCHEMBL2485358 0.69 TP53 (1.00) KDM4EHPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL8043954 0.69 KDM4E (0.52) KDM4EGRK6HPGDALDH1A1MAPT

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
EP-1379240-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-04-08 — — EP claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 — — US claimed
JP-2005506299-A — — 2005-03-03 — — JP claimed
EP-1379240-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP claimed
WO-2002078696-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO claimed
US-20060247280-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2006-11-02 — — 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-20060247280-A1 Compounds and methods METAP2, DNPEP, METAP1 KDM4E 1184/4885GRK6 3505/4885HPGD 1747/4885

“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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