SCHEMBL5376276

SCHEMBL5376276

Cc1cccc(Nc2n[nH]c(SCc3ccc4c(c3)OCO4)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 4/20 0.53
USP2 O75604 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DAO P14920 1/20 0.48
KCNH2 Q12809 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
EPHB4 P54760 1/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40

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
SCHEMBL5376637 0.82 METAP2 (0.46) ALDH1A1NPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL5377268 0.81 METAP2 (0.51) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL5397141 0.81 DAO (0.47) ALDH1A1LMNAUSP2NPSR1DAO
SCHEMBL5382611 0.81 AURKA (0.44) ALDH1A1LMNAUSP2NPSR1RAB9A
SCHEMBL5381486 0.80 DAO (0.51) ALDH1A1LMNADAOKCNH2RAB9A
SCHEMBL5373642 0.79 LMNA (0.46) ALDH1A1LMNANPSR1RAB9ANPC1
SCHEMBL5376587 0.79 MEN1 (0.41) ALDH1A1USP2RAB9ANPC1HPGD
SCHEMBL5380316 0.78 DAO (0.47) ALDH1A1LMNADAOKCNH2RAB9A
SCHEMBL5381809 0.78 ATM (0.54) ALDH1A1LMNADAOKCNH2RAB9A
SCHEMBL5382812 0.78 METAP2 (0.48) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US disclosed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 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 (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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP ALDH1A1 1754/4885LMNA 4783/4885USP2 560/4885

“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.