SCHEMBL9966898

SCHEMBL9966898

ClN1Cc2cccc(Br)c2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 6/20 0.41
TRAP1 Q12931 1/20 0.38
CARM1 Q86X55 3/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT1 Q99873 1/20 0.36
TRPA1 O75762 1/20 0.34
AKR1C3 P42330 1/20 0.34
ACACB O00763 3/20 0.33
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK5 Q00535 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL13464088 0.82 ABHD6 (0.47) ABHD6CARM1PRMT6PRMT1AKR1C3
SCHEMBL2647074 0.75 CARM1 (0.42) ABHD6TRAP1CARM1PRMT6PRMT1
SCHEMBL8243999 0.75 TIPARP (0.42) TRAP1
SCHEMBL17887847 0.72 ABHD6 (0.49) ABHD6TRAP1CARM1PRMT6PRMT1
SCHEMBL5809499 0.71 MAOA (0.44)
SCHEMBL629986 0.71 SIGMAR1 (0.46) CARM1PRMT6PRMT1ACACB
SCHEMBL23505868 0.71 TRAP1 (0.42) ABHD6TRAP1CARM1PRMT6PRMT1
SCHEMBL8677255 0.71 MAPT (0.47) ABHD6TRAP1TRPA1
Hydrochloric Acid SCHEMBL2490663 0.70 SIGMAR1 (0.44) CARM1PRMT6PRMT1ACACB
SCHEMBL4437645 0.69 ABHD6 (0.57) ABHD6TRAP1CARM1PRMT6PRMT1

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
US-9120818-B2 Process and intermediates for preparing macrolactams MERCK SHARP & DOHME CORP. (US) 2015-09-01 US disclosed
US-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. 2013-10-17 US disclosed
WO-2012082672-A2 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2012-06-21 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-20130274463-A1 PROCESS AND INTERMEDIATES FOR PREPARING MACROLACTAMS EMG1, MRPS18B, MLN ABHD6 964/4885TRAP1 3176/4885CARM1 4042/4885

“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.