SCHEMBL3477027

SCHEMBL3477027

CCCCCCCCCCCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.68
HCAR3 P49019 2/20 0.59
ALDH1A1 P00352 3/20 0.55
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 2/20 0.52
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL7970498 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3476711 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL3476402 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL11380052 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL9011355 1.00 KAT2B (0.68) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL1170743 0.98 KAT2B (0.69) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL981345 0.94 KAT2B (0.71) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL27543599 0.93 KAT2B (0.59) KAT2BHCAR3ALDH1A1MAPTSMN1; SMN2
SCHEMBL6198359 0.92 KAT2B (0.78) KAT2BALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL8720672 0.92 KAT2B (0.78) KAT2BALDH1A1MAPTSMN1; SMN2NPC1

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 5 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
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 KAT2B 1204/4885HCAR3 2694/4885ALDH1A1 1225/4885

“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.