SCHEMBL5244760

SCHEMBL5244760

CC(=O)c1cccc(-c2ccc([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GSTP1 P09211 5/20 0.50
▸ GSTM2 P28161 5/20 0.50
▸ MYC P01106 4/20 0.50
▸ IDO1 P14902 5/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TDO2 P48775 2/20 0.45
▸ MAX P61244 2/20 0.45
▸ CTSB P07858 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43

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
SCHEMBL5243500 0.85 MEN1 (0.64) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL4787872 0.82 IDO1 (0.53) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL5281251 0.81 MEN1 (0.51) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL4785470 0.80 IDO1 (0.53) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL4787667 0.79 MEN1 (0.63) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL5243642 0.79 MYC (0.67) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL4787990 0.77 ARNT (0.47) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL5243120 0.76 KMT2A (0.52) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL4784084 0.75 IDO1 (0.52) MEN1KMT2AGSTP1GSTM2MYC
SCHEMBL16120142 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1ABCB1ABCC1

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 6 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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 — — WO disclosed
WO-2006002284-A1 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2006-01-05 — — WO disclosed
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 MEN1 3562/4885KMT2A 1303/4885GSTP1 2061/4885

“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.

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