SCHEMBL22140394

SCHEMBL22140394

COC(=O)c1ccc(-n2cc(C(=O)OC)c(N)cc2=O)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 7/20 0.53
GAA P10253 5/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 3/20 0.53
GLA P06280 2/20 0.53
MAPT P10636 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
ABL1 P00519 1/20 0.51
CFTR P13569 3/20 0.48
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MYC P01106 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NR4A2 P43354 1/20 0.40
CA12 O43570 1/20 0.37

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
SCHEMBL28900107 0.71 SIRT6 (0.61) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL29400478 0.71 GAA (0.70) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL2926607 0.71 GAA (0.70) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL5627921 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL5054798 0.70 PRKDC (0.55) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL29358 0.70 KDM4E (1.00) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL1129582 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL4826905 0.70 ALDH1A1 (0.68) ALDH1A1KDM4EGAAHSD17B10HPGD
SCHEMBL12495084 0.70 LMNA (0.59) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL26614109 0.69 HTT (0.62) ALDH1A1KDM4EGAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2022-04-28 US disclosed
EP-3901138-A1 COMPOUND FOR USE IN RETINAL DISEASES Medshine Discovery Inc. (CN) 2021-10-27 EP disclosed
WO-2020125659-A1 COMPOUND FOR USE IN RETINAL DISEASES 南京明德新药研发有限公司 2020-06-25 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 (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-20220127243-A1 COMPOUND FOR USE IN RETINAL DISEASES ALDH1A2, ALDH1A3, NR2E3 ALDH1A1 15/4885KDM4E 4093/4885GAA 50/4885

“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.