SCHEMBL12468403

SCHEMBL12468403

CCC(=O)C(NC(=O)Nc1cccnc1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CDK2 P24941 1/20 0.49
FLT4 P35916 1/20 0.49
ACACB O00763 1/20 0.47
FPR2 P25090 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL12401164 0.85 RAB9A (0.54) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14943436 0.85 RAB9A (0.55) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL12467373 0.80 ALDH1A1 (0.56) MEN1KMT2AMAPTPKML3MBTL1
SCHEMBL12467076 0.77 CYP1A2 (0.56) KMT2AMAPTPKMACACBALDH1A1
SCHEMBL12467243 0.77 CYP1A2 (0.56) KMT2AMAPTPKMACACBALDH1A1
SCHEMBL12448114 0.76 RAB9A (0.62) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL12467390 0.75 CYP1A2 (0.48) KMT2AMAPTPKMALDH1A1POLB
SCHEMBL8670331 0.74 FPR2 (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9637653 0.73 MEN1 (0.77) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL30051982 0.73 MEN1 (0.77) RAB9ANPC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 RAB9A 2004/4885NPC1 252/4885MEN1 2930/4885

“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.