SCHEMBL3608460

SCHEMBL3608460

CCNCCCN(C)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
KDM1A O60341 5/20 0.41
SAT1 P21673 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PAOX Q6QHF9 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL16789969 0.93 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL20003253 0.91 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL40907 0.84
SCHEMBL26705092 0.83 TSHR (0.52) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL14222478 0.83 TSHR (0.59) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL23793168 0.81 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL19966296 0.81 TDP1 (0.40) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL27462008 0.81 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ATSHR
SCHEMBL18331653 0.81 KDM5A (0.38) TDP1KDM5AKDM4CPAOXALDH1A1
SCHEMBL14985825 0.80 CYP2C19 (0.43) CYP2C19MEN1GLAKMT2ATSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076116-A1 SELECTIVE BLOCKING OF METAL SURFACES USING BIFUNCTIONAL SELF-ASSEMBLED MONOLAYERS APPLIED MATERIALS, INC. (US) 2023-05-04 WO disclosed
EP-2928581-B1 PROCESS FOR ABSORPTION OF CO2 FROM A GAS MIXTURE USING AN AQUEOUS SOLUTION OF A DIAMINE EVONIK DEGUSSA GMBH (DE) 2016-10-19 EP disclosed
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2016-01-14 US disclosed
US-20150321139-A1 PROCESS FOR ABSORPTION OF CO2 FROM A GAS MIXTURE USING AN AQUEOUS SOLUTION OF A DIAMINE EVONIK INDUSTRIES AG (DE) 2015-11-12 US disclosed
US-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 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 (3 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-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC CYP2C19 1127/4885MEN1 383/4885GLA 3262/4885
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CYP2C19 2590/4885MEN1 3926/4885GLA 1522/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CYP2C19 2590/4885MEN1 3926/4885GLA 1522/4885

“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.