SCHEMBL5285112

SCHEMBL5285112

COc1ccc(-c2ccc([N+](=O)[O-])c3nonc23)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CTSB P07858 1/20 0.51
▸ IDO1 P14902 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CHEK1 O14757 2/20 0.46
▸ MYC P01106 2/20 0.45
▸ MAX P61244 2/20 0.45
▸ GSTP1 P09211 3/20 0.45
▸ GSTM2 P28161 3/20 0.45
▸ G6PD P11413 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TNNI3 P19429 1/20 0.43
▸ TNNT2 P45379 1/20 0.43

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
SCHEMBL5246257 0.83 IDO1 (0.63) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL3500091 0.82 MEN1 (0.60) MEN1KMT2ANPC1RAB9AIDO1
SCHEMBL4787667 0.81 MEN1 (0.63) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5243120 0.80 KMT2A (0.52) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL5246953 0.78 IDO1 (0.60) MEN1KMT2AHPGDIDO1MYC
SCHEMBL12682421 0.78 MAPT (0.55) NPC1RAB9AHPGDSMN1; SMN2CTSB
SCHEMBL4784084 0.77 IDO1 (0.52) MEN1KMT2AHPGDIDO1MAPT
SCHEMBL4787872 0.76 IDO1 (0.53) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL7970512 0.76 RAB9A (0.53) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL5244876 0.75 IDO1 (0.60) MEN1KMT2AHPGDIDO1MAPT

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 1303/4885NPC1 1567/4885

“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.

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