SCHEMBL1944148

SCHEMBL1944148

Cc1cc([N+](=O)[O-])cc(N=C=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
GPR35 Q9HC97 1/20 0.42
CYP3A4 P08684 5/20 0.41
TRPA1 O75762 1/20 0.40
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.36
VCAM1 P19320 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1944178 0.83 ALDH1A1 (0.47) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL1946782 0.80 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4TRPA1CYP19A1
SCHEMBL374389 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4TRPA1
SCHEMBL546059 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP3A4TRPA1
SCHEMBL2105183 0.77 TSHR (0.61) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL1944961 0.76 ALDH1A1 (0.41) ALDH1A1MEN1LMNAHTTKMT2A
SCHEMBL7310919 0.74 TSHR (0.52) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL16707388 0.74 CYP3A4 (0.48) ALDH1A1TDP1CYP3A4TRPA1
SCHEMBL8350193 0.72 ALDH1A1 (0.40) ALDH1A1TSHRTDP1GPR35CYP3A4
SCHEMBL8350190 0.72 ALDH1A1 (0.40) ALDH1A1TSHRTDP1GPR35CYP3A4

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 11 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
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 4361/4885TSHR 3710/4885TDP1 754/4885
US-20170152246-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885TSHR 3710/4885TDP1 754/4885

“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.