SCHEMBL5827463

SCHEMBL5827463

CCCOc1ccccc1-c1nc2c([nH]1)c(S)nc(=O)n2CCC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.61
GLA P06280 1/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PDE5A O76074 16/20 0.60
ADORA1 P30542 1/20 0.56
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL5827804 0.85 KDM4E (0.58) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827964 0.84 KDM4E (0.58) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827731 0.78 PDE5A (0.58) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827478 0.78 PDE5A (0.58) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827312 0.73 PDE5A (0.57) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827476 0.73 PDE5A (0.57) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827797 0.72 PDE5A (0.56) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827474 0.72 PDE5A (0.56) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL5827887 0.71 PDE5A (0.55) KDM4EALDH1A1HSD17B10GLACASP1
SCHEMBL7348770 0.71 PDE5A (1.00) KDM4EALDH1A1HSD17B10GLACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US disclosed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP disclosed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US disclosed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP disclosed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB KDM4E 4355/4885ALDH1A1 1064/4885HSD17B10 2707/4885

“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.