SCHEMBL5378945

SCHEMBL5378945

CCOC(=O)c1ccc(CSc2nnc(Nc3ccccc3OC)[nH]2)o1.COc1ccccc1Nc1n[nH]c(SCc2ccc(Br)s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 3/20 0.44
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 4/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5380976 0.85 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5381720 0.80 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5378895 0.76 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5377203 0.74 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5376644 0.73 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5385771 0.72 ALDH1A1 (0.42) ALDH1A1MAPTTSHRPOLBRAB9A
SCHEMBL5372169 0.70 METAP2 (0.41) LMNAMAPTRAB9AGAATP53
SCHEMBL5374243 0.70 ALDH1A1 (0.54) ALDH1A1LMNAMAPTTSHRPOLB
SCHEMBL5371958 0.70 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTTSHR
SCHEMBL5371992 0.69 ALDH1A1 (0.45) ALDH1A1LMNAMAPTTSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4783/4885MAPK1 3710/4885

“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.