SCHEMBL6317424

SCHEMBL6317424

COC(=O)c1ccc2[nH]c(C)c(Cc3ccc(SC(C)(C)C)cc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN5 P54829 1/20 0.43
KIF11 P52732 2/20 0.41
HCRTR1 O43613 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL6317527 0.89 PTPN5 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL5881887 0.85 KDM4E (0.50) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6319384 0.83 KDM4E (0.48) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6322574 0.82 ALDH1A1 (0.46) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6321976 0.82 PTGS2 (0.40) MAPT
SCHEMBL5882184 0.81 PDE3B (0.56) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6325133 0.80 POLB (0.49) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL5881928 0.80 MEN1 (0.50) RAB9ANPC1KDM4EALDH1A1HSD17B10
SCHEMBL6320027 0.80 PPARG (0.43) KDM4EPTPN5MAPT
SCHEMBL6318628 0.79 KDM4E (0.43) RAB9ANPC1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
EP-1546151-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS Wyeth (US) 2005-06-29 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2004024732-A1 ANTIDEPRESSANT CYCLOALKYLAMINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2004-03-25 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP 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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A RAB9A 1122/4885NPC1 2934/4885KDM4E 942/4885

“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.