SCHEMBL15538457

SCHEMBL15538457

COc1cc2[nH]c(=S)n(CCCCN(C)C)c(=O)c2cc1OC

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
HSD17B10 Q99714 1/20 0.68
MPO P05164 10/20 0.65
MAPK1 P28482 2/20 0.63
XDH P47989 7/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 1/20 0.58

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
SCHEMBL10288923 0.96 ALDH1A1 (0.79) ALDH1A1HSD17B10MPOMAPK1XDH
Hydrochloric Acid SCHEMBL2732441 0.95 ALDH1A1 (0.77) ALDH1A1HSD17B10MPOMAPK1XDH
SCHEMBL2730558 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10MPOMAPK1XDH
SCHEMBL2731426 0.84 ALDH1A1 (0.74) ALDH1A1HSD17B10MPOMAPK1XDH
SCHEMBL18708215 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10MPOMAPK1XDH
SCHEMBL2730707 0.79 MPO (1.00) ALDH1A1MPOXDHL3MBTL1HTT
SCHEMBL2723795 0.78 MPO (0.92) ALDH1A1MPOXDH
SCHEMBL2730381 0.77 MPO (0.90) ALDH1A1MPOXDH
SCHEMBL85957 0.77 IMPDH2 (0.74) ALDH1A1HSD17B10MAPK1L3MBTL1HTT
SCHEMBL2731128 0.75 MPO (0.67) ALDH1A1HSD17B10MPOMAPK1XDH

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-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2015-04-23 US claimed
WO-2013181135-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-12-05 WO claimed

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-20150110723-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX3, NOX1, NOX5 ALDH1A1 659/4885HSD17B10 3059/4885MPO 6/4885

“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.