SCHEMBL8280277

SCHEMBL8280277

CC(=O)c1ccc(NC(=O)c2ccccc2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMO Q99835 1/20 0.60
KMT2A Q03164 4/20 0.60
KCNK3 O14649 3/20 0.60
KCNK9 Q9NPC2 3/20 0.60
POLB P06746 1/20 0.60
PKM P14618 1/20 0.59
MAPT P10636 4/20 0.58
TP53 P04637 1/20 0.58
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
GRM4 Q14833 1/20 0.56
PNLIP P16233 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
CHRM1 P11229 1/20 0.54

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
SCHEMBL13689968 0.90 NPC1 (0.66) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL8278418 0.88 NPC1 (0.71) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL4241238 0.87 KMT2A (0.68) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL4247707 0.85 NPC1 (0.68) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL4254257 0.83 NPC1 (1.00) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL18152989 0.83 NPC1 (0.50) NPC1RAB9AKMT2APKMMAPT
SCHEMBL30369807 0.83 NPC1 (1.00) NPC1RAB9ASMOKMT2AKCNK3
SCHEMBL7748140 0.83 NPC1 (0.73) NPC1RAB9AKMT2AKCNK3KCNK9
SCHEMBL13602364 0.82 RORC (0.59) KMT2APOLBMAPTSMN1; SMN2MEN1
SCHEMBL7088719 0.81 MAPT (0.74) NPC1RAB9ASMOKMT2AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 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 (2 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 NPC1 3249/4885RAB9A 2702/4885SMO 2616/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B NPC1 1986/4885RAB9A 2054/4885SMO 3147/4885

“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.