SCHEMBL5374355

SCHEMBL5374355

COc1ccccc1Nc1n[nH]c(SCc2ccoc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.47
EGFR P00533 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.40
TSHR P16473 3/20 0.39
CASP1 P29466 2/20 0.39
HTT P42858 1/20 0.39
FYN P06241 1/20 0.39
AURKA O14965 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CCNB2 O95067 1/20 0.37

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
SCHEMBL5373564 0.87 GBA1 (0.50) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL5385617 0.86 METAP2 (0.49) METAP2SMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL5387230 0.84 MAPT (0.48) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL5376915 0.84 SMN1; SMN2 (0.43) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL5393559 0.83 METAP2 (0.68) METAP2MAPTRAB9APOLB
SCHEMBL5396948 0.82 METAP2 (0.55) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL5380678 0.82 MAPT (0.49) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL7083252 0.81 EGFR (0.46) EGFRSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL5371868 0.81 EGFR (0.41) METAP2EGFRSMN1; SMN2USP2ALDH1A1
SCHEMBL5396856 0.81 GAA (0.47) METAP2SMN1; SMN2ALDH1A1KDM4EMAPT

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 4 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 claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US 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

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 METAP2 1/4885EGFR 909/4885SMN1; SMN2 4773/4885

“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.