SCHEMBL4404597

SCHEMBL4404597

Cc1ccn(-c2nc(O)c3[c]cccc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KCNN3 Q9UGI6 2/20 0.32
HDAC4 P56524 1/20 0.31
TDO2 P48775 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL13595100 0.78 MAPT (0.44) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL4413940 0.77 ADORA2A (0.37) MAPTNPC1L3MBTL1KDM4EALDH1A1
SCHEMBL4406314 0.76
SCHEMBL4412489 0.75
SCHEMBL4404585 0.75
SCHEMBL4404584 0.71 HSD17B10 (0.45) MAPTATML3MBTL1KDM4EALDH1A1
SCHEMBL12918501 0.66 MAPT (0.53) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL4408162 0.64 GBA1 (0.37) HDAC4
SCHEMBL9863892 0.63 ACHE (0.30)
SCHEMBL21143612 0.63 RAB9A (0.50) MAPTRAB9ANPC1ATMSMN1; SMN2

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 MAPT 4214/4885RAB9A 3965/4885NPC1 788/4885

“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.