SCHEMBL1944196

SCHEMBL1944196

COC(=O)c1cc([N+](=O)[O-])cc(-n2nn[nH]c2=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.40
HTT P42858 4/20 0.39
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
OPRK1 P41145 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1944743 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1944818 0.80 NPC1 (0.37) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1943915 0.78 ALDH1A1 (0.39) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1956515 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1944125 0.75 ALDH1A1 (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1956514 0.74 ALDH1A1 (0.42) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1946559 0.73 CYP3A4 (0.46) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL1945443 0.72 ALDH1A1 (0.46) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL5628047 0.72 KMT2A (0.56) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL525661 0.72 PDGFRB (0.47) ALDH1A1HTTMEN1KMT2APOLB

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 4361/4885LMNA 892/4885HTT 2844/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885LMNA 892/4885HTT 2844/4885

“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.