SCHEMBL5330670

SCHEMBL5330670

CCOC(=O)c1[nH]nc(-c2ccccc2)c1N=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.49
RAB9A P51151 2/20 0.48
AURKA O14965 1/20 0.47
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
ADORA3 P0DMS8 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL8168092 0.84 HPGDS (0.51) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL27321802 0.83 RAB9A (0.63) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL1753182 0.82 HPGDS (0.60) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL3493236 0.82 HPGDS (0.60) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL10172532 0.82 HPGDS (0.60) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL648130 0.78 HPGDS (0.55) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL11351745 0.78 ALDH1A1 (0.58) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL9985730 0.78 HPGDS (0.61) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL7977971 0.76 HPGDS (0.53) HPGDSALDH1A1HSD17B10HPGDKDM4E
SCHEMBL11269746 0.75 HPGDS (0.61) HPGDSALDH1A1HSD17B10HPGDKDM4E

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
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG HPGDS 89/4885ALDH1A1 2651/4885HSD17B10 1121/4885

“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.