SCHEMBL4404584

SCHEMBL4404584

Oc1nc(N2CCCC2)nc2ccc[c]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 4/20 0.45
GAA P10253 4/20 0.45
GLA P06280 3/20 0.45
TSHR P16473 3/20 0.45
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
GFER P55789 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4408162 0.79 GBA1 (0.37) GBA1
SCHEMBL4406314 0.78
SCHEMBL8239781 0.76 L3MBTL1 (0.66) HSD17B10L3MBTL1HPGDGAAGLA
SCHEMBL4413940 0.73 ADORA2A (0.37) L3MBTL1GAAKDM4EALDH1A1LMNA
SCHEMBL4404597 0.71 MAPT (0.41) L3MBTL1GAAKDM4EALDH1A1HTT
SCHEMBL4404585 0.71
SCHEMBL4412489 0.71
SCHEMBL13730091 0.68 ALDH1A1 (0.47) HSD17B10L3MBTL1HPGDGAAGLA
SCHEMBL21380854 0.68 BCHE (0.52) HSD17B10HPGDTSHRKDM4EALDH1A1
SCHEMBL9863892 0.67 ACHE (0.30)

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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US claimed
EP-1915382-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR Phenomix Corporation (US) 2008-04-30 EP claimed
WO-2007016476-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-02-08 WO claimed
US-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 US disclosed
EP-1915382-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR Phenomix Corporation (US) 2008-04-30 EP disclosed
WO-2007016476-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-02-08 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 HSD17B10 1244/4885L3MBTL1 1303/4885HPGD 917/4885

“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.