SCHEMBL3477013

SCHEMBL3477013

N#CCCCCCNc1ccccc1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 4/20 0.38
CHRM2 P08172 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL7522536 0.81 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL4247250 0.81 TSHR (0.55) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10499418 0.80 KDM4E (0.41) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL7522731 0.79 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL3568604 0.79 TSHR (0.56) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL30528606 0.79 TSHR (0.56) TSHRKDM4EHPGDHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL10499476 0.79 ALDH1A1 (0.40) TSHRKDM4EHPGDHSD17B10GAA
SCHEMBL27755926 0.78 TSHR (0.46) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL27546031 0.75 KDM4E (0.50) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10499283 0.75 ALDH1A1 (0.59) L3MBTL1GAAHDAC3HDAC1ALDH1A1

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 TSHR 4393/4885KDM4E 2112/4885HPGD 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.