SCHEMBL1943293

SCHEMBL1943293

O=c1[nH]nnn1-c1cc([N+](=O)[O-])c(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESPL1 Q14674 1/20 0.31
VCAM1 P19320 1/20 0.31
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1944326 0.80 ALDH1A1 (0.34) MAPTMAPK1ALDH1A1SMN1; SMN2ATM
SCHEMBL1945485 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4ESPL1
SCHEMBL1944352 0.76 MAPT (0.40) MAPTPKMMAPK1ALDH1A1SMN1; SMN2
SCHEMBL19555054 0.76 MAPT (0.35) MAPTPKMMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1943936 0.76 PTPRC (0.38) MAPTALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL1946273 0.76 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2ATMTDP1
SCHEMBL31301893 0.76 ATM (0.45) MAPTMAPK1ALDH1A1SMN1; SMN2ATM
SCHEMBL10418812 0.73 ALDH1A1 (0.50) MAPTMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1945579 0.73 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL1943844 0.72 ALDH1A1 (0.39) MAPTALDH1A1

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 12 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
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 MAPT 2530/4885PKM 210/4885MAPK1 406/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB MAPT 2530/4885PKM 210/4885MAPK1 406/4885

“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.