SCHEMBL1945485

SCHEMBL1945485

O=c1[nH]nnn1-c1cc([N+](=O)[O-])cc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.35
NQO2 P16083 1/20 0.33
ESPL1 Q14674 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
SCHEMBL1943936 0.81 PTPRC (0.38) ALDH1A1GLACYP3A4
SCHEMBL1945579 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL1946695 0.76 ALDH1A1 (0.35) ALDH1A1GLACYP3A4NQO2ESPL1
SCHEMBL1943293 0.76 MAPT (0.40) ALDH1A1CYP3A4ESPL1
SCHEMBL10418812 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL1944818 0.76 NPC1 (0.37) ALDH1A1CYP3A4
SCHEMBL1945687 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1944900 0.74 ALDH1A1 (0.33) ALDH1A1GLACYP3A4
SCHEMBL1944257 0.74 PGR (0.37) ALDH1A1
SCHEMBL1943915 0.74 ALDH1A1 (0.39) ALDH1A1

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 14 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
EP-2507227-B1 TETRAZOLONES AS PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2014-10-08 EP disclosed
EP-2507227-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2012-10-10 EP disclosed
WO-2011068898-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2011-06-09 WO 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 ALDH1A1 4361/4885GLA 2436/4885CYP3A4 4316/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885GLA 2436/4885CYP3A4 4316/4885

“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.