SCHEMBL5631379

SCHEMBL5631379

COC(=O)n1ccc2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
MAPK14 Q16539 2/20 0.39
MAPK11 Q15759 1/20 0.39
HTR6 P50406 2/20 0.39
PRKCI P41743 1/20 0.39
NOTUM Q6P988 1/20 0.38
LPO P22079 2/20 0.37
TFPI2 P48307 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BRPF1 P55201 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
CSNK1A1 P48729 1/20 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
SCHEMBL617201 0.87 PRKCI (0.50) ALDH1A1GAAMAPK14PRKCINOTUM
SCHEMBL2003464 0.83 NR1H2 (0.45) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL423280 0.82 KDM4E (0.42) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL397539 0.81 NOTUM (0.58) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL11962998 0.81 NOTUM (0.58) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL12480601 0.81 IRAK4 (0.40) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL13726436 0.81 HTR6 (0.39) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL15232029 0.79 MAPK11 (0.48) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL15232028 0.79 KDM4E (0.53) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL27729357 0.79 TSHR (0.47) ALDH1A1KDM4ETP53HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases GLAXO GROUP LIMITED (GB) 2007-04-12 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 (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-20070082912-A1 Pyrrole compounds for the treatment of prostaglandine mediated diseases PTGER1, PTGDR, PTGIR ALDH1A1 1403/4885KDM4E 1761/4885TP53 4086/4885

“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.