SCHEMBL1945604

SCHEMBL1945604

O=C=Nc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
PTPRC P08575 3/20 0.42
LMNA P02545 2/20 0.42
S100A4 P26447 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SNCA P37840 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9870898 0.86 ALDH1A1 (0.41) TXNRD1TXNRD3TXNRD2PTPRCLMNA
SCHEMBL11232668 0.81 GPR35 (0.50) TXNRD1TXNRD3TXNRD2PTPRCLMNA
SCHEMBL374389 0.79 ALDH1A1 (0.56) LMNAMAPK1SMN1; SMN2NPC1HTT
SCHEMBL912939 0.79 ALDH1A1 (0.53) TXNRD1TXNRD3TXNRD2PTPRCLMNA
SCHEMBL1940462 0.79 HSD17B10 (0.56) LMNAMAPK1SMN1; SMN2NPC1HTT
SCHEMBL28760315 0.78 VCAM1 (0.49) TXNRD1TXNRD3TXNRD2PTPRCLMNA
SCHEMBL8862330 0.77 TDP1 (0.52) TXNRD1TXNRD3TXNRD2LMNAMAPK1
SCHEMBL9339650 0.76 ALDH1A1 (0.49) TXNRD1TXNRD3TXNRD2PTPRCLMNA
SCHEMBL546059 0.76 ALDH1A1 (0.56) LMNAMAPK1SMN1; SMN2NPC1HTT
SCHEMBL1513945 0.76 HSD17B10 (0.56) LMNAMAPK1NPC1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732070-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2017-06-01 US disclosed
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 EP disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. 2011-06-02 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 (2 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-20110130415-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB TXNRD1 1098/4885TXNRD3 2061/4885TXNRD2 1102/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB TXNRD1 1098/4885TXNRD3 2061/4885TXNRD2 1102/4885

“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.