SCHEMBL13485481

SCHEMBL13485481

O=Cc1cc(Br)c2c(c1[N+](=O)[O-])OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.43
▸ TXNRD3 Q86VQ6 1/20 0.43
▸ TXNRD2 Q9NNW7 1/20 0.43
▸ ERN1 O75460 3/20 0.36
▸ ALDH1A1 P00352 7/20 0.33
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL30694157 1.00 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2ERN1ALDH1A1
SCHEMBL4625623 0.81 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2ERN1ALDH1A1
SCHEMBL4627162 0.81 TXNRD1 (0.43) TXNRD1TXNRD3TXNRD2ERN1ALDH1A1
SCHEMBL13606106 0.75 LMNA (0.39) ERN1ALDH1A1MAPTKDM4EPOLB
SCHEMBL1426690 0.74 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2ERN1ALDH1A1
SCHEMBL13485505 0.72 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2
SCHEMBL13485482 0.70 ERN1 (0.51) ERN1ALDH1A1MAPTLMNA
SCHEMBL10621840 0.70 LMNA (0.49) TXNRD1TXNRD3TXNRD2ERN1ALDH1A1
SCHEMBL30766305 0.69 ERN1 (0.54) ERN1ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL28026602 0.69 ERN1 (0.54) ERN1ALDH1A1MAPTKDM4ECYP3A4

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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