SCHEMBL3477012

SCHEMBL3477012

CCCCCN(C#N)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
GRM2 Q14416 1/20 0.34
KCNH2 Q12809 3/20 0.34
SLC6A2 P23975 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL8773387 0.82 HDAC6 (0.41) TSHRHDAC6L3MBTL1ALDH1A1TP53
SCHEMBL8746684 0.82 HDAC6 (0.41) TSHRHDAC6L3MBTL1ALDH1A1TP53
SCHEMBL8746679 0.78 TSHR (0.42) TSHRHDAC6L3MBTL1ALDH1A1KDM4E
SCHEMBL13159000 0.78 NPC1 (0.45) MAPTTP53KCNH2NPC1RAB9A
SCHEMBL20157017 0.75 TSHR (0.40) TSHRHDAC6L3MBTL1ALDH1A1MAPT
SCHEMBL20133582 0.74 TSHR (0.42) TSHRHDAC6ALDH1A1KDM4EGAA
SCHEMBL13158975 0.72 TDP1 (0.42) HDAC6MAPTTP53KCNH2SLC6A2
SCHEMBL3477306 0.71 TSHR (0.47) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL4773995 0.71 TSHR (0.46) TSHRHDAC6L3MBTL1ALDH1A1GAA
SCHEMBL11739695 0.70 KCNH2 (0.43) TSHRKCNH2SLC6A2

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 4393/4885HDAC6 3109/4885L3MBTL1 4305/4885

“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.