SCHEMBL4030184

SCHEMBL4030184

O=C(Cc1ccccn1)NNC(=S)NC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.63
▸ ALDH1A1 P00352 8/20 0.60
▸ GAA P10253 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP2C9 P11712 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ALPL P05186 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52

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
SCHEMBL4025940 0.80 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL5457322 0.80 RAB9A (0.76) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL28431272 0.78 KDM4E (0.62) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL14860407 0.77 RAB9A (1.00) RAB9AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4877114 0.75 RAB9A (0.74) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4031988 0.75 ALDH1A1 (0.66) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL4027858 0.75 KDM4E (0.74) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL11599578 0.75 KMT2A (0.86) RAB9AALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL4025251 0.74 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2KDM4ELMNA
SCHEMBL4031273 0.72 ALDH1A1 (0.71) ALDH1A1GAASMN1; SMN2KDM4ELMNA

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 RAB9A 1333/4885ALDH1A1 1820/4885GAA 938/4885

“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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