SCHEMBL18347792

SCHEMBL18347792

COc1c(NC(=O)C(C)C)cc(OC)c2c1c(C)cc(=O)n2C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.60
▸ NQO2 P16083 6/20 0.60
▸ HTT P42858 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL23015724 0.76 NQO2 (0.60) CYP19A1NQO2HTTKDM4ELMNA
SCHEMBL18347811 0.72 CYP19A1 (0.75) CYP19A1NQO2RXFP1KDM4EALDH1A1
SCHEMBL18347791 0.69 CYP19A1 (0.68) CYP19A1NQO2HTTKDM4ELMNA
SCHEMBL5754807 0.67 HTT (0.51) HTTRXFP1KDM4ELMNAMAPK1
SCHEMBL21067704 0.67 CYP19A1 (1.00) CYP19A1NQO2KDM4EALDH1A1HPGD
SCHEMBL16543576 0.65 HTT (0.55) HTTKDM4EMAPK1ALDH1A1HPGD
SCHEMBL26816560 0.65 HTT (0.58) HTTRXFP1KDM4ELMNAMAPK1
SCHEMBL18347795 0.64 CYP19A1 (0.53) CYP19A1NQO2HTTKDM4EALDH1A1
SCHEMBL14519905 0.64 KMT2A (0.64) HTTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL7439612 0.64 HTT (0.57) HTTKDM4ELMNAMAPK1ALDH1A1

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 2 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
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

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 CYP19A1 188/4885NQO2 116/4885HTT 2305/4885
US-20160376243-A1 1,2-NAPHTHOQUINONE BASED DERIVATIVE AND METHOD OF PREPARING THE SAME CYP2S1, SLC5A1, CYP2D6 CYP19A1 138/4885NQO2 144/4885HTT 1834/4885

“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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