SCHEMBL5289924

SCHEMBL5289924

O=[N+]([O-])c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)c2nonc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNNI3 P19429 2/20 0.58
TNNT2 P45379 2/20 0.58
TNNC1 P63316 2/20 0.58
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD11B1 P28845 6/20 0.53
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TRPV1 Q8NER1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL5297433 0.84 KMT2A (0.61) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL5356823 0.81 TNNI3 (0.58) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL8159616 0.81 KMT2A (0.70) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL5284517 0.78 HSD11B1 (0.62) HSD11B1
SCHEMBL5300515 0.78 POLB (0.65) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL6393072 0.77 MEN1 (0.58) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL6428662 0.77 SLC6A9 (0.55) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL5288002 0.76 MEN1 (0.57) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL5244363 0.76 MEN1 (0.54) TNNI3TNNT2TNNC1POLBMEN1
SCHEMBL5329963 0.76 MAPT (0.64) TNNI3TNNT2TNNC1POLBMEN1

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
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 TNNI3 2217/4885TNNT2 3294/4885TNNC1 3368/4885

“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.