SCHEMBL3474592

SCHEMBL3474592

N#Cc1cccc(NC2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.52
CTSK P43235 3/20 0.49
CTSS P25774 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CTSV O60911 1/20 0.44
PLAT P00750 1/20 0.44
CTSL P07711 1/20 0.44
CTSH P09668 1/20 0.44
CASP14 P31944 1/20 0.44
CASP6 P55212 1/20 0.44
CTSZ Q9UBR2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
EPHX1 P07099 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL18855742 0.98 KMT2A (0.54) TSHRKMT2ACTSKCTSSL3MBTL1
SCHEMBL5478814 0.95 KMT2A (0.50) TSHRKMT2ACTSKCTSSL3MBTL1
SCHEMBL377499 0.85 CYP1A2 (0.51) TSHRKMT2ACTSKCTSSCTSL
Hydrochloric Acid SCHEMBL382110 0.84 CYP1A2 (0.50) TSHRKMT2ACTSKCTSSCTSL
Hydrochloric Acid SCHEMBL70796 0.84 CYP1A2 (0.50) TSHRKMT2ACTSKCTSSCTSL
SCHEMBL3128888 0.84 KMT2A (0.44) TSHRKMT2AALDH1A1MAPTIDO1
SCHEMBL3427795 0.82 KDM4E (0.49) TSHRKMT2ACTSKALDH1A1MAPT
SCHEMBL14492926 0.81 POLB (0.49) KMT2AL3MBTL1
SCHEMBL3768702 0.80 KDM4E (0.46) TSHRKMT2ACTSKALDH1A1MAPT
SCHEMBL21460253 0.80 DRD2 (0.49) TSHRKMT2ACTSKCTSSCTSL

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
CN-105814087-A Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2016-07-27 CN disclosed
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 4393/4885KMT2A 644/4885CTSK 2119/4885

“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.