SCHEMBL7053842

SCHEMBL7053842

[CH2]NC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.73
AKR1C3 P42330 1/20 0.66
NPC1 O15118 3/20 0.63
PKM P14618 1/20 0.60
KAT6A Q92794 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
TNKS O95271 1/20 0.56
PARP15 Q460N3 1/20 0.56
PARP14 Q460N5 1/20 0.56
PARP10 Q53GL7 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
PARP2 Q9UGN5 1/20 0.56
MEN1 O00255 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
FABP1 P07148 1/20 0.55

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
SCHEMBL6671653 0.84 HDAC8 (1.00) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL31295303 0.83 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL2830822 0.83 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL7053844 0.83 HDAC8 (0.73) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL7152809 0.81 FFAR1 (0.75) HDAC8AKR1C3NPC1SMN1; SMN2MEN1
SCHEMBL6497202 0.81 RAB9A (0.68) NPC1PKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL2531295 0.80 PARP10 (0.83) HDAC8AKR1C3NPC1PKMERCC5
SCHEMBL30434552 0.80 PARP10 (0.83) HDAC8AKR1C3NPC1PKMERCC5
SCHEMBL8782975 0.80 HDAC8 (0.69) HDAC8AKR1C3NPC1PKMKAT6A
SCHEMBL8248607 0.80 ALDH1A1 (0.72) HDAC8AKR1C3NPC1PKMKAT6A

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
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP claimed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP disclosed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 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-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D HDAC8 3934/4885AKR1C3 2189/4885NPC1 1789/4885

“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.