SCHEMBL1945280

SCHEMBL1945280

COc1cc(-n2nn[nH]c2=O)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABHD16A O95870 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KAT2B Q92831 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
SNCA P37840 1/20 0.38
KEAP1 Q14145 1/20 0.37

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
SCHEMBL5905873 0.84 CYP1A2 (0.42) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1942654 0.81 ALDH1A1 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1944257 0.80 PGR (0.37) MEN1KMT2AMAPTPTGS1KCNJ1
SCHEMBL1944900 0.80 ALDH1A1 (0.33) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1943700 0.78 HPN (0.51) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL1944185 0.77 ABHD16A (0.41) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL4670522 0.77 KMT2A (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1946779 0.76 KEAP1 (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1944271 0.75 SIRT2 (0.33) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL8598461 0.75 L3MBTL1 (0.48) LMNAMEN1KMT2ANPC1RAB9A

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 LMNA 892/4885MEN1 3946/4885KMT2A 3505/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB LMNA 892/4885MEN1 3946/4885KMT2A 3505/4885

“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.