SCHEMBL3759408

SCHEMBL3759408

[CH2]Cc1ccc(Cl)c(CC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
IDO1 P14902 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SLC6A4 P31645 3/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
BACE1 P56817 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
SCHEMBL3790563 0.85 TRPA1 (0.43) L3MBTL1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL29277321 0.83 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1CSNK2A3IDO1
SCHEMBL8658043 0.80 DHFR (0.42) L3MBTL1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13179975 0.79 L3MBTL1 (0.39) L3MBTL1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5847395 0.79 CSNK2A1 (0.57) L3MBTL1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL5847393 0.79 L3MBTL1 (0.39) L3MBTL1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL21668224 0.76 NPSR1 (0.38) L3MBTL1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL44646 0.76 BACE1 (0.62) CSNK2A2CSNK2BCSNK2A1CSNK2A3HTR2A
SCHEMBL93982 0.75 IDO1 (0.58) IDO1SLC6A4TSHRLMNASLC6A2
Hydrochloric Acid SCHEMBL44146 0.75 BACE1 (0.61) CSNK2A2CSNK2BCSNK2A1CSNK2A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658239-A Use of N-(4-tert-butylbenzyl)-3-chloro-N-[2-(4-chloro-3-ethyl-phenyl)-ethyl]-2-fluoro- 5-trifluoromethyl-benzamide for the treatment of eye diseases 豪夫迈·罗氏有限公司 2016-06-08 CN disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT L3MBTL1 1100/4885CSNK2A2 3803/4885CSNK2B 3692/4885

“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.