SCHEMBL16879448

SCHEMBL16879448

NC1=CC(=O)c2ccncc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ BLM P54132 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ TP53 P04637 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ CASP1 P29466 3/20 0.51
▸ CASP7 P55210 2/20 0.51
▸ CDC25B P30305 1/20 0.50
▸ PADI1 Q9ULC6 3/20 0.47
▸ PADI3 Q9ULW8 3/20 0.47
▸ PADI4 Q9UM07 3/20 0.47
▸ PADI2 Q9Y2J8 3/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ S100A4 P26447 1/20 0.47
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL15855938 0.77 MAPT (0.57) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL7649527 0.75 CDC25B (0.44) MAPTCDC25BPADI1PADI3PADI4
SCHEMBL31112247 0.74 MAOA (0.77) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL16685145 0.74 MAOA (0.70) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL30616365 0.74 MAOA (0.86) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL20618218 0.74 MAOA (0.77) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL8417659 0.74 MAOA (0.86) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL11088784 0.73 CDC25B (0.61) MAOAMAOBMAPTBLMSMN1; SMN2
Caulibugulone A SCHEMBL2555738 0.73 MAPT (0.63) MAOAMAOBMAPTBLMSMN1; SMN2
SCHEMBL29429719 0.73 PTPN1 (0.68) MAOAMAOBMAPTBLMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same HUEN CO., LTD. (KR) 2021-02-23 — — US disclosed
EP-3091005-B1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME HUEN CO LTD (KR) 2020-11-11 — — EP disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 — — US disclosed
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME KT&G LIFE SCIENCES CORPORATION (KR) 2016-12-29 — — US disclosed
EP-3091005-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME KT&G Life Sciences Corporation (KR) 2016-11-09 — — EP disclosed
WO-2015102369-A1 1,2-NAPHTHOQUINONE DERIVATIVE AND METHOD FOR PREPARING SAME 주식회사 케이티앤지생명과학 2015-07-09 — — 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 (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-10927085-B2 1,2-naphthoquinone based derivative and method of preparing the same UGT1A6, CYP2D6, SLC5A1 MAOA 2707/4885MAOB 2266/4885MAPT 182/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 MAOA 2544/4885MAOB 2223/4885MAPT 129/4885

“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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