SCHEMBL5733017

SCHEMBL5733017

CCOC(=O)C(C(=O)OCC)c1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ RAB9A P51151 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ BACE1 P56817 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSP90AA1 P07900 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
SCHEMBL30024173 1.00 PKM (0.53) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL27551193 0.92 ALDH1A1 (0.59) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL6629498 0.87 BACE1 (0.50) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL6629500 0.87 BACE1 (0.50) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL3833396 0.82 MAPT (0.54) PKMLMNAMAPTALDH1A1RAB9A
SCHEMBL10737968 0.81 MEN1 (0.57) PKML3MBTL1MAPTKMT2AMEN1
SCHEMBL10844233 0.81 MEN1 (0.49) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL6646794 0.80 L3MBTL1 (0.47) PKML3MBTL1LMNAMAPTALDH1A1
SCHEMBL27563285 0.80 MEN1 (0.48) PKML3MBTL1MAPTRAB9AKMT2A
SCHEMBL14572101 0.80 L3MBTL1 (0.53) PKML3MBTL1LMNAMAPTALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2025-02-20 — — US disclosed
EP-4347561-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF Bright Minds Biosciences Inc. (CA) 2024-04-10 — — EP disclosed
WO-2022246554-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2022-12-01 — — WO disclosed
CN-1315805-C Compositions and methods of use thereof achiral analogues of CC-1065 and duocarmycins TAIHO PHARMACEUTICAL CO LTD (GB) 2007-05-16 — — CN disclosed
US-7186745-B2 Indolone derivatives having vascular damaging activity ASTRAZENECA AB (SE) 2007-03-06 — — US disclosed
US-7186745-B2 Indolone derivatives having vascular damaging activity ASTRAZENECA AB (SE) 2007-03-06 — — US disclosed
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 — — EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — EP disclosed
CN-1461298-A Compositions and methods of use thereof achiral analogues of CC-1065 and duocarmycins TAIHO PHARMACEUTICAL CO LTD (JP) 2003-12-10 — — CN disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 — — US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 — — EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 — — US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 — — WO 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 (2 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-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF OPRL1, OPRK1, CNR2 PKM 664/4885L3MBTL1 4682/4885LMNA 3559/4885
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 PKM 3798/4885L3MBTL1 278/4885LMNA 1231/4885

“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.

Send feedback