SCHEMBL5245136

SCHEMBL5245136

CC(C)(C)c1ccc(-c2cc([N+](=O)[O-])cc3nonc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 5/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
HTT P42858 4/20 0.40
MAPT P10636 4/20 0.40
APP P05067 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CSNK1D P48730 1/20 0.37
CSNK1G2 P78368 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37

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
SCHEMBL5244995 0.85 MAPT (0.45) NPBWR1ALDH1A1TSHRCYP2C19RAB9A
SCHEMBL5243684 0.79 APP (0.50) ALDH1A1TSHRLMNARAB9ANPC1
SCHEMBL4787863 0.77 GSTP1 (0.55) ALDH1A1CYP2C19MAPTMEN1KMT2A
SCHEMBL5244253 0.77 MAPT (0.50) NPBWR1ALDH1A1TSHRCYP2C19LMNA
SCHEMBL5244236 0.77 ARNT (0.50) MAPTMEN1KMT2AKEAP1NFE2L2
SCHEMBL5243653 0.76 ARNT (0.45) ALDH1A1TSHRCYP2C19LMNARAB9A
SCHEMBL5243660 0.75 ABCC8 (0.46) ALDH1A1TSHRCYP2C19MAPTMEN1
SCHEMBL5303012 0.73 KMT2A (0.49) NPBWR1ALDH1A1TSHRCYP2C19MAPT
SCHEMBL5244946 0.72 MEN1 (0.53) ALDH1A1RAB9AMAPTAPPMEN1
SCHEMBL4783996 0.72 NPC1 (0.44) LMNARAB9ANPC1APPTDP1

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 NPBWR1 4815/4885ALDH1A1 2627/4885TSHR 4795/4885

“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.