SCHEMBL3475933

SCHEMBL3475933

O=[N+]([O-])c1cccc(NC2CCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPT P10636 5/20 0.64
POLB P06746 3/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
CTSL P07711 1/20 0.60
CTSB P07858 1/20 0.60
CTSS P25774 1/20 0.60
CTSK P43235 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
DDX3X O00571 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL30780915 0.95 MAPT (0.61) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL30321478 0.92 NPC1 (0.56) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL8397659 0.92 NPC1 (0.56) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL19675710 0.86 CTSL (0.57) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL3821145 0.85 CTSL (0.61) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL19675959 0.83 NPC1 (0.52) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL1197657 0.82 PKM (0.68) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL15271967 0.81 SMN1; SMN2 (0.53) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL12485644 0.81 CTSL (0.57) NPC1RAB9AMAPTPOLBLMNA
SCHEMBL34468086 0.80 RAB9A (1.00) NPC1RAB9AMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 NPC1 1321/4885RAB9A 184/4885MAPT 3456/4885

“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.