SCHEMBL8689671

SCHEMBL8689671

CCOC(=O)c1cc2cc(Cl)ccc2n1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 3/20 0.47
NOD1 Q9Y239 3/20 0.47
TSHR P16473 2/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR2 P41597 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL23045620 0.84 ATM (0.44) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL31383475 0.84 ATM (0.44) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL1253237 0.82 RXFP1 (0.56) NOD2NOD1TSHRALOX15KDM4E
SCHEMBL29463237 0.82 NOD2 (0.57) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL5794123 0.82 NOD2 (0.57) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL8689838 0.81 ALDH1A1 (0.54) NOD2NOD1TSHRALOX15KDM4E
SCHEMBL15908740 0.81 NOD2 (0.49) NOD2NOD1TSHRALOX15KDM4E
SCHEMBL22939156 0.81 TSHR (0.47) NOD2NOD1TSHRKDM4EALDH1A1
SCHEMBL22004131 0.80 CCR2 (0.51) CCR2RXFP1
SCHEMBL23045577 0.80 NOD2 (0.52) NOD2NOD1KDM4EALDH1A1MAPT

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 US disclosed
US-5852046-A Benzo-fused heterocyclic compounds having a 5-membered ring processes for their preparation their use as medicaments their use as diagnostic agents and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-22 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG NOD2 4348/4885NOD1 3687/4885TSHR 4803/4885

“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.