SCHEMBL1944810

SCHEMBL1944810

Cn1nnn(-c2cccc([N+](=O)[O-])c2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
ABHD16A O95870 1/20 0.52
HPN P05981 1/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN2A Q99250 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4673681 0.81 KMT2A (0.54) SMN1; SMN2IDO1TDO2ALDH1A1MAPT
SCHEMBL1945990 0.79 LMNA (0.38) SMN1; SMN2IDO1TDO2ALDH1A1MAPT
SCHEMBL1944185 0.79 ABHD16A (0.41) SMN1; SMN2ABHD16AMAPTKEAP1NFE2L2
SCHEMBL1946971 0.78 CHEK1 (0.36) SMN1; SMN2IDO1TDO2ALDH1A1MAPT
SCHEMBL1944859 0.78 CHEK1 (0.36) SMN1; SMN2IDO1TDO2ALDH1A1MAPT
SCHEMBL4604204 0.77 SMN1; SMN2 (0.59) SMN1; SMN2IDO1TDO2ABHD16AHPN
SCHEMBL18504499 0.76 IDO1 (0.49) IDO1TDO2ALDH1A1MAPTMEN1
SCHEMBL18504503 0.76 CYP1A2 (0.56) IDO1TDO2ALDH1A1MAPTNPC1
SCHEMBL1946351 0.75 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL18504528 0.75 FAAH (0.46) SMN1; SMN2IDO1TDO2ALDH1A1MAPT

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 SMN1; SMN2 1709/4885IDO1 4650/4885TDO2 4614/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB SMN1; SMN2 1709/4885IDO1 4650/4885TDO2 4614/4885

“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.