SCHEMBL18347680

SCHEMBL18347680

CC(C)C(=O)N(Cc1ccccc1)c1c(N)cc(O)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ MLYCD O95822 1/20 0.40
▸ PDK1 Q15118 5/20 0.40
▸ HTR6 P50406 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ TSPO P30536 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 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
SCHEMBL18347675 0.79 KDM4E (0.37) HPGDTSHRKDM4EALDH1A1NPSR1
SCHEMBL12658891 0.72 LTB4R2 (0.68) HPGDTSHRKDM4EALDH1A1NPSR1
SCHEMBL18347670 0.68 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2A
SCHEMBL18216887 0.66 LMNA (0.56) HPGDTSHRALDH1A1NPSR1MEN1
SCHEMBL12251783 0.65 HPGD (0.72) HPGDMEN1KMT2A
SCHEMBL17774456 0.65 ALOX5 (0.60) HPGDLTB4R2MEN1KMT2A
SCHEMBL11465092 0.64 MLYCD (0.49) HPGDTSHRKDM4EALDH1A1NPSR1
SCHEMBL14442982 0.64 KMT2A (0.69) HPGDTSHRKDM4EALDH1A1PSEN1
SCHEMBL18347659 0.63 KDM4E (0.48) HPGDTSHRKDM4EALDH1A1NPSR1
SCHEMBL20169254 0.63 IDO1 (0.41) HPGDTSHRKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM CO., LTD. (KR) 2020-09-08 — — US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 — — US disclosed
US-9975883-B2 1,2-naphthoquinone based derivative and method of preparing the same YUNGJIN PHARM. CO., LTD. (KR) 2018-05-22 — — US disclosed
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 — — 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 (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-10766882-B2 1,2-naphthoquinone based derivative and method of preparing the same CYP2S1, GYS2, SLC5A1 HPGD 686/4885TSHR 2741/4885KDM4E 3755/4885
US-20160376258-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, GYS2, SLC5A1 HPGD 686/4885TSHR 2741/4885KDM4E 3755/4885

“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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