SCHEMBL22733024

SCHEMBL22733024

COc1nn(-c2ccc(C(F)(F)F)cc2)c2c1C(=O)C(=O)c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.51
▸ CASR P41180 1/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ F10 P00742 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAT2A P31153 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL31037032 1.00 HIF1A (0.51) HIF1ACASRPTGS2F10TP53
SCHEMBL22733090 0.86 IDO1 (0.47) HIF1APTGS2PTGS1CYP1A2NPC1
SCHEMBL31037046 0.86 IDO1 (0.47) HIF1APTGS2PTGS1CYP1A2NPC1
SCHEMBL31037045 0.86 HIF1A (0.54) HIF1ATP53CYP1A2NPC1RAB9A
SCHEMBL25975633 0.86 HIF1A (0.54) HIF1ATP53CYP1A2NPC1RAB9A
SCHEMBL25975640 0.85 HIF1A (0.49) HIF1ATP53CYP1A2NPC1RAB9A
SCHEMBL22733091 0.76 NPC1 (0.43) HIF1ANPC1RAB9APAX8NPBWR1
SCHEMBL22733280 0.76 HIF1A (0.61) HIF1APTGS2TP53PTGS1CYP1A2
SCHEMBL31037072 0.76 HIF1A (0.61) HIF1APTGS2TP53PTGS1CYP1A2
SCHEMBL22733034 0.74 NPC1 (0.43) HIF1ATP53CYP1A2NPC1RAB9A

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
CN-113454068-A Benzoindazolone compounds and intermediates thereof LMITO药业株式会社 2021-09-28 — — CN claimed
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 HIF1A 3197/4885CASR 4738/4885PTGS2 1617/4885

“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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