SCHEMBL5243120

SCHEMBL5243120

Cc1ccc(-c2ccc([N+](=O)[O-])c3nonc23)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
IDO1 P14902 6/20 0.49
G6PD P11413 1/20 0.49
CASP6 P55212 1/20 0.49
GSTP1 P09211 2/20 0.48
GSTM2 P28161 2/20 0.48
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
MYC P01106 4/20 0.45
MAX P61244 2/20 0.45
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL5246953 0.84 IDO1 (0.60) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL4784084 0.83 IDO1 (0.52) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL4787872 0.82 IDO1 (0.53) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL2608494 0.82 GSTP1 (0.61) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL17934467 0.81 MYC (0.73) KMT2AMEN1IDO1USP2POLB
SCHEMBL5245835 0.81 IDO1 (0.53) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL5285112 0.80 MEN1 (0.53) KMT2AMEN1IDO1G6PDCASP6
SCHEMBL5244876 0.78 IDO1 (0.60) KMT2AMEN1IDO1GSTP1GSTM2
SCHEMBL5243642 0.78 MYC (0.67) KMT2AMEN1IDO1GSTP1GSTM2
SCHEMBL4787663 0.78 IDO1 (0.53) KMT2AMEN1IDO1GSTP1GSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758873-A1 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2007-03-07 EP claimed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed
US-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 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 (1 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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP KMT2A 1303/4885MEN1 3562/4885IDO1 805/4885

“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.