SCHEMBL19334682

SCHEMBL19334682

COC(=O)c1cn2c(c(OCc3ccccc3)c1=O)C(=O)N1CCNC1C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 1/20 0.34
MMP13 P45452 2/20 0.34
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
PARP1 P09874 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MITF O75030 1/20 0.33

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
SCHEMBL10188513 0.85 ALDH1A1 (0.36) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL13601049 0.84 LMNA (0.47) ALDH1A1LMNAHPGDHTTKMT2A
SCHEMBL2601033 0.84 MAOA (0.32) CYP2C19PARP1
SCHEMBL19157805 0.81 KDM4E (0.39) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL20015194 0.81 LMNA (0.41) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL21120816 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL18473858 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL22605391 0.79 LMNA (0.46) ALDH1A1LMNAKMT2ACYP2C19
SCHEMBL20015192 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL19334679 0.79 LMNA (0.39) ALDH1A1HSD17B10USP2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807648-B2 Process for preparing substituted polycyclic pyridone derivative and crystal thereof SHIONOGI & CO., LTD. (JP) 2023-11-07 US disclosed
US-11807648-B2 Process for preparing substituted polycyclic pyridone derivative and crystal thereof SHIONOGI & CO., LTD. (JP) 2023-11-07 US disclosed
US-20210230187-A1 PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE AND CRYSTAL THEREOF SHIONOGI & CO., LTD. (JP) 2021-07-29 US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 US disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9815835-B2 Substituted polycyclic carbamolypyridone derivative SHIONOGI & CO., LTD. (JP) 2017-11-14 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 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 (4 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-20210230187-A1 PROCESS FOR PREPARING SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVE AND CRYSTAL THEREOF REN, C5, PDXK ALDH1A1 3226/4885HSD17B10 1057/4885USP2 3848/4885
US-11807648-B2 Process for preparing substituted polycyclic pyridone derivative and crystal thereof REN, C5, PDXK ALDH1A1 3226/4885HSD17B10 1057/4885USP2 3848/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885HSD17B10 1241/4885USP2 1225/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 ALDH1A1 1564/4885HSD17B10 1241/4885USP2 1225/4885

“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.