SCHEMBL16879529

SCHEMBL16879529

CC(C)C(=O)NC1=CC(=O)c2ccncc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ BLM P54132 4/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ CASP1 P29466 3/20 0.57
▸ CASP7 P55210 2/20 0.57
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP2 O95551 1/20 0.43
▸ G6PD P11413 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL15690474 0.82 HDAC6 (0.62) MAPTBLMSMN1; SMN2TP53CYP3A4
Caulibugulone A SCHEMBL2555738 0.77 MAPT (0.63) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL18347803 0.74 S100A4 (0.58) MAPTBLMSMN1; SMN2TDP2G6PD
SCHEMBL8654523 0.70 MAPT (0.69) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL8102460 0.69 CDC25A (0.47) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL15855938 0.69 MAPT (0.57) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL8654199 0.68 MAPT (0.55) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL8417659 0.67 MAOA (0.86) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL30616365 0.67 MAOA (0.86) MAPTBLMSMN1; SMN2TP53CYP3A4
SCHEMBL8655228 0.67 MAPT (0.69) MAPTBLMSMN1; SMN2TP53CYP3A4

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 MAPT 182/4885BLM 970/4885SMN1; SMN2 1275/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 MAPT 129/4885BLM 884/4885SMN1; SMN2 1188/4885

“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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