SCHEMBL2731131

SCHEMBL2731131

Nn1c(=S)[nH]c2cc3c(cc2c1=O)OCCO3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.64
▸ MPO P05164 4/20 0.59
▸ KDM4E B2RXH2 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PKM P14618 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42

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
SCHEMBL2730571 0.91 XDH (0.59) XDHMPOKDM4EKMT2AHSD17B10
SCHEMBL2730470 0.78 XDH (1.00) XDHMPOKDM4EKMT2AHSD17B10
SCHEMBL15215601 0.74 MPO (0.66) XDHMPOKDM4EHSD17B10MAPK1
SCHEMBL10289262 0.72 ALDH1A1 (0.60) XDHKDM4EKMT2AHSD17B10CYP1A2
SCHEMBL2731128 0.72 MPO (0.67) XDHMPOKDM4EKMT2AHSD17B10
SCHEMBL2730975 0.71 MPO (1.00) XDHMPOKMT2AHSD17B10MAPK1
SCHEMBL15215602 0.69 MPO (0.58) XDHMPOKDM4EKMT2ARXFP1
SCHEMBL15549239 0.69 MPO (1.00) XDHMPOKMT2ARXFP1MEN1
SCHEMBL2731084 0.67 ALDH1A1 (0.68) XDHMPOKDM4EKMT2ANPC1
SCHEMBL2730278 0.66 KDM4E (0.65) XDHMPOKDM4EKMT2AHSD17B10

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 6 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
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 XDH 11/4885MPO 10/4885KDM4E 1311/4885

“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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