SCHEMBL5340775

SCHEMBL5340775

O=Cc1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
GSK3A P49840 2/20 0.55
GSK3B P49841 2/20 0.55
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 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
SCHEMBL23768993 0.83 ALDH1A1 (0.57) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL29226911 0.83 TSHR (0.60) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL29979053 0.83 ALDH1A1 (0.57) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL23768836 0.83 SIGMAR1 (0.64) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL31490096 0.83 SIGMAR1 (0.64) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL23769108 0.83 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL7366310 0.82 TSHR (0.78) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL29227219 0.82 ALDH1A1 (0.59) ALDH1A1CYP2C9CYP2C19TSHRMEN1
SCHEMBL23768992 0.81 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19MAPTLMNA
SCHEMBL29978848 0.81 ALDH1A1 (0.71) ALDH1A1CYP2C9CYP2C19MAPTLMNA

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-7205295-B2 Benzoxazin-3-ones and derivatives thereof as therapeutic agents WARNER-LAMBERT COMPANY LLC (US) 2007-04-17 US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 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-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 ALDH1A1 782/4885CYP2C9 15/4885CYP2C19 102/4885

“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.