SCHEMBL25975640

SCHEMBL25975640

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 5/20 0.49
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MCHR1 Q99705 2/20 0.37
▸ KMT2A Q03164 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
SCHEMBL31037045 0.91 HIF1A (0.54) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL31037046 0.88 IDO1 (0.47) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL22733090 0.88 IDO1 (0.47) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL31037032 0.85 HIF1A (0.51) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL22733024 0.85 HIF1A (0.51) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL25254985 0.83 HIF1A (0.62) HIF1ARAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL29404848 0.83 HIF1A (0.62) HIF1ARAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL22733280 0.80 HIF1A (0.61) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL31037072 0.80 HIF1A (0.61) HIF1ARAB9ANPC1PAX8CYP1A2
SCHEMBL22733034 0.78 NPC1 (0.43) HIF1ARAB9ANPC1PAX8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 3197/4885RAB9A 1969/4885NPC1 1156/4885

“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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