SCHEMBL4156152

SCHEMBL4156152

[CH](c1ccccn1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 3/20 0.49
KCNA5 P22460 3/20 0.47
KCNE1 P15382 1/20 0.47
MAPK1 P28482 4/20 0.44
IKBKB O14920 3/20 0.44
RAF1 P04049 3/20 0.44
RPS6KB1 P23443 3/20 0.44
AKT1 P31749 3/20 0.44
AKT2 P31751 3/20 0.44
KDR P35968 3/20 0.44
MAPKAPK2 P49137 3/20 0.44
PRKAG1 P54619 3/20 0.44
MAP2K1 Q02750 3/20 0.44
PRKAA1 Q13131 3/20 0.44
NEK1 Q96PY6 3/20 0.44

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
SCHEMBL2464389 0.98 RAB9A (0.54) RAB9ANPC1MEN1KMT2AATM
SCHEMBL3593807 0.81 PLD1 (0.53) RAB9ANPC1MEN1KMT2AATM
SCHEMBL4154208 0.81 RAB9A (0.54) RAB9ANPC1MEN1KMT2AATM
SCHEMBL8776102 0.76 RAB9A (0.47) RAB9ANPC1MEN1KMT2AATM
SCHEMBL3939449 0.74 RAB9A (0.45) RAB9ANPC1MEN1KMT2AATM
SCHEMBL14385702 0.74 GAA (0.68) RAB9ANPC1MEN1KMT2AATM
SCHEMBL9365967 0.74 TDP1 (0.56) RAB9ANPC1MEN1KMT2AATM
SCHEMBL17868753 0.74 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL17868754 0.74 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL9365970 0.74 TDP1 (0.56) RAB9ANPC1MEN1KMT2AATM

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 US disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 US disclosed
EP-1945609-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-23 EP disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 EP disclosed
WO-2007029036-A2 AMINO ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 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-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 RAB9A 2246/4885NPC1 881/4885MEN1 4119/4885
US-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 RAB9A 1138/4885NPC1 1625/4885MEN1 3953/4885

“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.