SCHEMBL3476587

SCHEMBL3476587

CCCCCCCCNc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ICMT O60725 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
MGLL Q99685 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NOS1 P29475 1/20 0.41
TBXA2R P21731 1/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL28133362 0.98 ABL1 (0.44) ABL1TLR8TLR7ICMTALDH1A1
SCHEMBL14155105 0.94 TLR8 (0.47) TLR8TLR7ICMTALDH1A1MAPT
SCHEMBL5712396 0.92 ALDH1A1 (0.47) ICMTALDH1A1MAPTPDK1PDK2
SCHEMBL6972024 0.87 MAPT (0.46) ICMTALDH1A1MAPTPDK1PDK2
SCHEMBL7285403 0.84 ABL1 (0.47) ABL1ALDH1A1MAPTCNR1KCNH3
SCHEMBL9101067 0.83 ABL1 (0.44) ABL1ALDH1A1MAPTCNR1KCNH3
SCHEMBL16633472 0.83 ALDH1A1 (0.49) ICMTALDH1A1MAPTPDK1PDK2
SCHEMBL16633231 0.83 GRM4 (0.43) ICMTALDH1A1MAPTPDK1PDK2
SCHEMBL11115631 0.82 ALDH1A1 (0.59) ICMTALDH1A1MAPTPDK1PDK2
SCHEMBL11130650 0.81 HTT (0.51) ABL1ALDH1A1MAPTKCNH3

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-8889857-B2 Phosphine-ligated palladium sulfonate palladacycles MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-18 US 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 ABL1 211/4885TLR8 4621/4885TLR7 3277/4885

“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.