SCHEMBL15550280

SCHEMBL15550280

O=c1c2ccccc2[nH]c(=S)n1CCCc1c[nH]cn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ MPO P05164 6/20 0.58
▸ XDH P47989 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ QPCT Q16769 3/20 0.57
▸ KMT2A Q03164 4/20 0.56
▸ HAVCR2 Q8TDQ0 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 2/20 0.52

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
SCHEMBL15537385 0.84 QPCT (0.60) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL12713432 0.77 MPO (0.73) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL7648079 0.77 ALDH1A1 (0.74) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL6293995 0.76 ALDH1A1 (0.68) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL15613190 0.74 KDM4E (0.58) SMN1; SMN2ALDH1A1KMT2AKDM4EMEN1
SCHEMBL29446470 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL2731546 0.74 MPO (1.00) MPOXDHALDH1A1HAVCR2
SCHEMBL10288918 0.74 MPO (0.68) NPC1RAB9ASMN1; SMN2MPOXDH
SCHEMBL3639892 0.73 QPCT (1.00) MPOXDHALDH1A1QPCTKMT2A
SCHEMBL2723795 0.73 MPO (0.92) NPC1RAB9ASMN1; SMN2MPOXDH

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 NPC1 4286/4885RAB9A 1020/4885SMN1; SMN2 4378/4885

“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.

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