SCHEMBL22732883

SCHEMBL22732883

CC(C)n1nnc2c1-c1ccccc1C(=O)C2=O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
DHODH Q02127 3/20 0.48
TDO2 P48775 15/20 0.47
IDO1 P14902 13/20 0.47
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL22732889 0.88 TOP2A (0.59) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL23422787 0.79 TOP2A (0.54) TOP2ASMN1; SMN2DHODHTDO2IDO1
SCHEMBL25132524 0.79 TOP2A (0.43) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL25129541 0.79 TTR (0.45) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL25129809 0.76 TOP2A (0.43) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL25132883 0.76 TTR (0.45) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL22478608 0.75 TOP2A (0.42) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL24483711 0.74 TOP2A (0.44) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL25603214 0.73 ALDH1A1 (0.43) TOP2ASMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL23422779 0.72 TOP2A (0.54) TOP2ASMN1; SMN2ALDH1A1DHODHTDO2

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 7 patents. 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
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-11717511-B2 Pharmaceutical composition comprising derivative compound of 1,2-naphthoquinone for preventing or treating solid cancer or blood cancer HUEN CO., LTD. (KR) 2023-08-08 US disclosed
US-11717511-B2 Pharmaceutical composition comprising derivative compound of 1,2-naphthoquinone for preventing or treating solid cancer or blood cancer HUEN CO., LTD. (KR) 2023-08-08 US disclosed
US-20210155596-A1 PHARMACEUTICAL COMPOSITION COMPRISING DERIVATIVE COMPOUND OF 1,2-NAPHTHOQUINONE FOR PREVENTING OR TREATING SOLID CANCER OR BLOOD CANCER HUEN CO., LTD. (KR) 2021-05-27 US 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 (3 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-11717511-B2 Pharmaceutical composition comprising derivative compound of 1,2-naphthoquinone for preventing or treating solid cancer or blood cancer MCL1, SNX1, ABL1 TOP2A 395/4885SMN1; SMN2 699/4885ALDH1A1 458/4885
US-20210155596-A1 PHARMACEUTICAL COMPOSITION COMPRISING DERIVATIVE COMPOUND OF 1,2-NAPHTHOQUINONE FOR PREVENTING OR TREATING SOLID CANCER OR BLOOD CANCER MCL1, SNX1, ABL1 TOP2A 395/4885SMN1; SMN2 699/4885ALDH1A1 458/4885
US-20230255904-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NAPHTHOQUINONE-BASED COMPOUND AND IMMUNE CHECKPOINT INHIBITOR AS ACTIVE INGREDIENTS PDCD1, CD274, PDCD10 TOP2A 367/4885SMN1; SMN2 3061/4885ALDH1A1 2536/4885

“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.