SCHEMBL5734032

SCHEMBL5734032

O=C(O)Cc1ccc(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.56
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MAOB P27338 2/20 0.49
▸ LMNA P02545 1/20 0.46
▸ AR P10275 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ FFAR1 O14842 2/20 0.46
▸ FFAR4 Q5NUL3 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
SCHEMBL30024032 1.00 CYP1A2 (0.56) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL5991804 0.91 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL2817506 0.90 CYP1A2 (0.51) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL5164310 0.90 BACE1 (0.54) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5991077 0.87 PKM (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL26604899 0.86 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM
SCHEMBL14572101 0.86 L3MBTL1 (0.53) MEN1KMT2ANPC1RAB9AATM
SCHEMBL30954335 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL5734037 0.85 CYP4F2 (0.55) MEN1KMT2ANPC1RAB9AATM
SCHEMBL8837186 0.84 MEN1 (0.51) MEN1KMT2ANPC1RAB9AATM

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 12 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
CN-117897376-A Heterocyclic compounds and process for preparing same 光明智慧生物科学公司 2024-04-16 — — CN 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
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 CYP1A2 74/4885MEN1 3422/4885KMT2A 4068/4885
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 CYP1A2 4126/4885MEN1 1970/4885KMT2A 3055/4885

“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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