SCHEMBL17348447

SCHEMBL17348447

Cc1ncc2cc3c(cc2c1C)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 8/20 0.42
HPGD P15428 7/20 0.42
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
ATM Q13315 1/20 0.38
PIM3 Q86V86 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 4/20 0.36
MAPT P10636 2/20 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
SCHEMBL17348452 0.89 ALDH1A1 (0.38) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17348450 0.86 ALDH1A1 (0.37) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8554879 0.74 ALDH1A1 (0.42) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8487989 0.73 ACHE (0.49) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8488179 0.72 CTSL (0.56) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13519624 0.71 L3MBTL1 (0.50) ALOX5ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17344797 0.69 CASP3 (0.38) ALOX5ALDH1A1HPGDKDM4EHSD17B10
Trisphaeridine SCHEMBL29746387 0.68 KDM4E (0.53) ALDH1A1KDM4EHSD17B10L3MBTL1LMNA
SCHEMBL11208689 0.67 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10LMNA
SCHEMBL12313649 0.67 CYP1A2 (0.42) ALDH1A1HPGDKDM4EHSD17B10LMNA

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
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA ALOX5 3995/4885ALDH1A1 4109/4885HPGD 2671/4885

“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.