SCHEMBL429447

SCHEMBL429447

CC(C)c1ccc([N+](=O)[O-])cc1-n1cnnn1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 8/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 1/20 0.40
NOTUM Q6P988 2/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.38
KCNMA1 Q12791 1/20 0.38
NPC1 O15118 1/20 0.36

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
SCHEMBL29788862 0.79 LMNA (0.65) LMNAKCNJ1KCNH2ALDH1A1NPSR1
SCHEMBL28422920 0.79 LMNA (0.65) LMNAKCNJ1KCNH2ALDH1A1HPGD
SCHEMBL430921 0.77 ALDH1A1 (0.61) LMNAALDH1A1HPGDNPSR1MAPT
SCHEMBL22637019 0.76 LMNA (0.61) LMNAKCNJ1KCNH2ALDH1A1HPGD
SCHEMBL22636656 0.76 LMNA (0.61) LMNAKCNJ1KCNH2ALDH1A1MAPT
SCHEMBL432194 0.73 NOTUM (0.50) LMNAALDH1A1NPSR1MAPTNOTUM
SCHEMBL29788843 0.72 LMNA (0.56) LMNAALDH1A1HPGDNPSR1MAPT
SCHEMBL1269000 0.71 KCNJ1 (0.68) LMNAKCNJ1KCNH2ALDH1A1HPGD
SCHEMBL17516253 0.71 ALDH1A1 (0.53) ALDH1A1NPSR1NOTUMKDM4EKMT2A
SCHEMBL11526155 0.70 ALDH1A1 (0.51) LMNAALDH1A1HPGDNPSR1MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
EP-2595982-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 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-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB LMNA 892/4885KCNJ1 3738/4885KCNH2 4109/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB LMNA 892/4885KCNJ1 3738/4885KCNH2 4109/4885

“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.