SCHEMBL22733085

SCHEMBL22733085

COc1nn(-c2ccccc2)c2c1C(=O)C(=O)c1cc(Br)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ HIF1A Q16665 1/20 0.40
▸ S100A4 P26447 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ CA9 Q16790 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MPO P05164 1/20 0.35
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL31037045 0.86 HIF1A (0.54) NPC1RAB9APAX8HIF1ALMNA
SCHEMBL25975633 0.86 HIF1A (0.54) NPC1RAB9APAX8HIF1ALMNA
SCHEMBL22733091 0.86 NPC1 (0.43) NPC1RAB9APAX8PTPRCHIF1A
SCHEMBL22733034 0.86 NPC1 (0.43) NPC1RAB9APAX8PTPRCHIF1A
SCHEMBL31037047 0.82 PTPRC (0.47) NPC1RAB9APAX8PTPRCS100A4
SCHEMBL25975644 0.82 PTPRC (0.47) NPC1RAB9APAX8PTPRCS100A4
SCHEMBL25975640 0.78 HIF1A (0.49) NPC1RAB9APAX8HIF1ALMNA
SCHEMBL22733090 0.77 IDO1 (0.47) NPC1RAB9APAX8HIF1APDE4B
SCHEMBL31037046 0.77 IDO1 (0.47) NPC1RAB9APAX8HIF1APDE4B
SCHEMBL31037072 0.76 HIF1A (0.61) NPC1RAB9APAX8HIF1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3932909-B1 BENZOINDAZOLONE COMPOUND, AND INTERMEDIATE THEREOF LMITO THERAPEUTICS INC (KR) 2025-04-02 — — EP claimed
CN-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN claimed
CN-113454068-A Benzoindazolone compounds and intermediates thereof LMITO药业株式会社 2021-09-28 — — CN claimed
CN-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN disclosed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 — — US disclosed
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS NADIANBIO LTD. (KR) 2023-08-17 — — US disclosed
CN-113454068-A Benzoindazolone compounds and intermediates thereof LMITO药业株式会社 2021-09-28 — — CN disclosed
WO-2020246807-A2 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, CONTAINING NAPHTHOQUINONE COMPOUND 주식회사 엘마이토테라퓨틱스 2020-12-10 — — WO disclosed
WO-2020242277-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF INFLAMMATORY DISEASES COMPRISING NAPHTHOQUINONE DERIVATIVE 주식회사 엘마이토테라퓨틱스 2020-12-03 — — 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 (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-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 NPC1 1156/4885RAB9A 1969/4885PAX8 4244/4885

“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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