SCHEMBL5244995

SCHEMBL5244995

Cc1ccc(-c2cc([N+](=O)[O-])cc3nonc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
MYC P01106 1/20 0.43
MAX P61244 1/20 0.43
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP2 O75604 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
IDO1 P14902 3/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL5245136 0.85 NPBWR1 (0.44) MAPTKMT2AMEN1MYCMAX
SCHEMBL5244253 0.85 MAPT (0.50) MAPTKMT2AMEN1ACHEALDH1A1
SCHEMBL5303012 0.84 KMT2A (0.49) MAPTKMT2AMEN1ACHEHSD17B10
SCHEMBL5243653 0.79 ARNT (0.45) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL5246953 0.75 IDO1 (0.60) KMT2AMEN1MYCMAXHSD17B10
SCHEMBL5244236 0.75 ARNT (0.50) MAPTKMT2AMEN1KEAP1NFE2L2
SCHEMBL5244493 0.74 MEN1 (0.43) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL7754050 0.71 ALDH1A1 (0.51) MAPTKMT2AMEN1HSD17B10ALDH1A1
SCHEMBL22118150 0.71 MEN1 (0.45) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL862621 0.71 COMT (0.40) MYCMAXACHENPC1RAB9A

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 5 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
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 MAPT 1681/4885KMT2A 1303/4885MEN1 3562/4885

“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.