SCHEMBL15215607

SCHEMBL15215607

Nn1c(=S)[nH]c2cc(OC=O)ccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.51
▸ XDH P47989 2/20 0.51
▸ CA12 O43570 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ CA9 Q16790 5/20 0.43
▸ CA1 P00915 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15215602 0.75 MPO (0.58) MPOXDHCA12CA2CA9
SCHEMBL2730278 0.71 KDM4E (0.65) MPOXDHKDM4EALDH1A1MEN1
SCHEMBL2731084 0.71 ALDH1A1 (0.68) MPOXDHKDM4EALDH1A1MEN1
SCHEMBL2731359 0.70 KMT2A (0.70) MPOXDHKDM4EALDH1A1MEN1
SCHEMBL10288996 0.69 MPO (0.54) MPOXDHCA12CA2CA9
SCHEMBL27820478 0.68 KIF11 (0.57) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL15215601 0.68 MPO (0.66) MPOXDHCA12CA2CA9
SCHEMBL2730975 0.68 MPO (1.00) MPOXDHCA12CA2CA9
SCHEMBL15549239 0.66 MPO (1.00) MPOXDHCA12CA2CA9
SCHEMBL2731131 0.64 XDH (0.64) MPOXDHKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 11/4885CA12 4261/4885

“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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