SCHEMBL5285967

SCHEMBL5285967

O=[N+]([O-])c1c(N2CCCCC2)cc(-c2cc(F)cc(F)c2)c2nonc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
HPGD P15428 3/20 0.40
ARNT P27540 1/20 0.39
EPAS1 Q99814 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL5297511 0.82 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5282352 0.80 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5244946 0.80 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5301588 0.80 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5708737 0.78 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5243523 0.78 MAPT (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4787516 0.71 IDO1 (0.52) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5243653 0.70 ARNT (0.45) MEN1KMT2AMAPTALDH1A1USP2
SCHEMBL6392336 0.68 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6391290 0.67 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB

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 1303/4885MAPT 1681/4885

“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.