SCHEMBL5282352

SCHEMBL5282352

Cc1cccc(-c2cc(N3CCCCC3)c([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
TNNC1 P63316 1/20 0.47
HPGD P15428 1/20 0.45

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
SCHEMBL5243523 0.87 MAPT (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5301588 0.85 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5244946 0.81 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5285967 0.80 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5297511 0.79 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4787872 0.74 IDO1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5708737 0.74 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5244253 0.72 MAPT (0.50) MEN1KMT2AMAPTALDH1A1USP2
SCHEMBL6392336 0.69 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6388955 0.68 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 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-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 1303/4885RXFP1 4546/4885

“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.