SCHEMBL3476083

SCHEMBL3476083

CCCCCCCCNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
TLR8 Q9NR97 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
XBP1 P17861 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DDX3X O00571 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL5605034 1.00 ALDH1A1 (0.51) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL4611265 0.98 ALDH1A1 (0.52) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL2010242 0.94 MAPT (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL5880840 0.88 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL6226767 0.85 MAPT (0.53) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL6231289 0.85 MAPT (0.53) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11291923 0.84 MEN1 (0.50) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11164763 0.83 ALDH1A1 (0.56) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2
SCHEMBL11158043 0.82 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11115027 0.82 ALDH1A1 (0.57) ALDH1A1ALOX12HPGDMAPTSMN1; SMN2

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 ALDH1A1 1225/4885ALOX12 2705/4885HPGD 2141/4885

“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.