SCHEMBL3476172

SCHEMBL3476172

CCCCCCCCCCCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
ALDH1A1 P00352 8/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GLA P06280 2/20 0.61
KDM4E B2RXH2 1/20 0.57
MGLL Q99685 1/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
CHRM2 P08172 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
SCHEMBL3476585 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL10406550 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL9011397 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL18932209 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL3476080 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL1046139 0.98 MAPT (0.66) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL9651956 0.93 MAPT (0.68) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL10877789 0.91 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL590835 0.91 MAPT (0.54) MAPTALDH1A1SMN1; SMN2GLAKDM4E
SCHEMBL14117517 0.91 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2GLAKDM4E

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 MAPT 3456/4885ALDH1A1 1225/4885SMN1; SMN2 2016/4885

“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.