SCHEMBL3476584

SCHEMBL3476584

CCOc1c(CC)cccc1C(N)=O.[Cu]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PARP1 P09874 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL288797 0.98 TSHR (0.45) PARP10TSHRMEN1KMT2APARP1
SCHEMBL17075501 0.83 PARP1 (0.44) PARP10MEN1KMT2APARP1LMNA
SCHEMBL1003309 0.83 CLCN2 (0.49) TSHRMEN1KMT2ALMNAHTT
SCHEMBL30597481 0.83 CLCN2 (0.49) TSHRMEN1KMT2ALMNAHTT
SCHEMBL28309500 0.81 L3MBTL1 (0.45) PARP10TSHRMEN1KMT2APARP1
SCHEMBL3189724 0.81 TSHR (0.53) TSHRMEN1KMT2ALMNAHTT
SCHEMBL7534601 0.81 ALDH1A1 (0.49) PARP10TSHRMEN1KMT2APARP1
Bicarbonate SCHEMBL5184188 0.81 CLCN2 (0.47) TSHRMEN1KMT2ALMNAHTT
SCHEMBL16959851 0.81 GABRA1 (0.42) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL3142351 0.81 IRAK4 (0.45) PARP10MEN1KMT2APARP1LMNA

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 2 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 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 PARP10 1660/4885TSHR 4393/4885MEN1 704/4885

“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.