SCHEMBL2723795

SCHEMBL2723795

CN(C)CCCCn1c(=S)[nH]c2ccccc2c1=O

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MPO P05164 13/20 0.92
XDH P47989 6/20 0.92
ALDH1A1 P00352 1/20 0.92
HAVCR2 Q8TDQ0 1/20 0.82
CRHBP P24387 1/20 0.65
CRHR2 Q13324 1/20 0.65
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL2730381 0.99 MPO (0.90) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL2731546 0.96 MPO (1.00) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL2731155 0.91 MPO (1.00) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL12713432 0.83 MPO (0.73) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL6293995 0.82 ALDH1A1 (0.68) MPOXDHALDH1A1HAVCR2NPC1
SCHEMBL32680056 0.82 MPO (0.92) MPOXDHALDH1A1HAVCR2SMN1; SMN2
SCHEMBL10288922 0.82 MPO (0.92) MPOXDHALDH1A1HAVCR2SMN1; SMN2
SCHEMBL15613366 0.82 MPO (0.74) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL10288919 0.82 MPO (0.67) MPOXDHALDH1A1HAVCR2CRHBP
SCHEMBL16844130 0.81 MPO (0.72) MPOXDHALDH1A1HAVCR2CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632466-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO Emory University (US) 2013-09-04 EP claimed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 US claimed
WO-2012058211-A2 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-05-03 WO claimed
US-9868728-B2 Quinazoline derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2018-01-16 US disclosed
EP-2886120-A1 Quinazoline derivatives, compositions and uses related thereto Emory University (US) 2015-06-24 EP disclosed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 US disclosed
US-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2013-08-29 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-20130225612-A1 QUINAZOLINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NQO2 MPO 10/4885XDH 11/4885ALDH1A1 458/4885

“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.