SCHEMBL1944818

SCHEMBL1944818

Cc1cc([N+](=O)[O-])cc(-n2nn[nH]c2=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 7/20 0.36
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 3/20 0.36
GPR35 Q9HC97 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CYP3A4 P08684 3/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTT P42858 2/20 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
SCHEMBL1943915 0.86 ALDH1A1 (0.39) NPC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1946559 0.83 CYP3A4 (0.46) NPC1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1944125 0.83 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1944196 0.80 ALDH1A1 (0.43) NPC1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1944114 0.76 CHEK1 (0.39) NPC1MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL1945485 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL1945579 0.75 ALDH1A1 (0.44) KMT2ASMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL1943936 0.75 PTPRC (0.38) KMT2ASMN1; SMN2ALDH1A1TDP1CYP3A4
SCHEMBL1944383 0.75 HTT (0.47) MEN1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL1946043 0.73 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1TDP1

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 NPC1 1483/4885MEN1 3946/4885KMT2A 3505/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB NPC1 1483/4885MEN1 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.