SCHEMBL20032548

SCHEMBL20032548

COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.64
HSD17B10 Q99714 4/20 0.64
MAPK1 P28482 1/20 0.64
CASP1 P29466 2/20 0.61
CASP7 P55210 2/20 0.61
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL374339 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL16431500 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6431438 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL15010761 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2176399 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL1906767 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL15057556 0.85 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL30616291 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL29487159 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6354110 0.83 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7

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-20180099962-A1 NAPHTHYRIDINE COMPOUNDS, MEDICAL COMBINATIONS AND USE THEREOF NANJING NATINEFY PHARMATECH CO., LTD. (CN) 2018-04-12 US disclosed
US-9938274-B1 Naphthyridine compounds, medical combinations and use thereof NANJING NATINEFY PHARMATECH CO., LTD. (CN) 2018-04-10 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 (1 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-20180099962-A1 NAPHTHYRIDINE COMPOUNDS, MEDICAL COMBINATIONS AND USE THEREOF NPM1, NEK4, NME1 ALDH1A1 3003/4885HSD17B10 3174/4885MAPK1 108/4885

“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.