SCHEMBL13485505

SCHEMBL13485505

O=[N+]([O-])c1c(C2OCCO2)cc(Br)c2c1OCO2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ HTT P42858 1/20 0.30

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
SCHEMBL13485503 0.79 GPR35 (0.36) —
SCHEMBL15127684 0.75 — —
SCHEMBL30694157 0.72 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2
SCHEMBL13485481 0.72 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2
SCHEMBL31235202 0.70 PMM2 (0.37) HTT
SCHEMBL13485506 0.69 MAPT (0.34) TXNRD1TXNRD3TXNRD2
SCHEMBL22835493 0.68 SNCA (0.37) HTT
SCHEMBL13589888 0.68 HTT (0.32) HTT
SCHEMBL29178876 0.67 CHRNB4 (0.42) —
SCHEMBL20263723 0.66 NPC1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044084-B1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-02-17 — — EP disclosed
US-8492377-B2 MTKI quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2013-07-23 — — US disclosed
US-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-02-04 — — US disclosed
WO-2008006884-A2 MTKI QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-17 — — WO 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-20100029627-A1 MTKI QUINAZOLINE DERIVATIVES NR4A3, NR4A1, NR5A2 TXNRD1 805/4885TXNRD3 164/4885TXNRD2 882/4885

“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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