SCHEMBL8516159

SCHEMBL8516159

Clc1ccccc1-n1c[c]nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
NOTUM Q6P988 2/20 0.44
MGLL Q99685 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRB1 P08588 1/20 0.36
PARP1 P09874 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNN4 O15554 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL8513208 0.77 MGLL (0.37) MGLLKCNN4
SCHEMBL8513179 0.77 MGLL (0.37) MGLLALDH1A1PTGS1PTGS2RAB9A
SCHEMBL2818806 0.77 KCNMA1 (0.43) ADORA3LMNAHTTKDM4EALDH1A1
SCHEMBL4720640 0.74 ALDH1A1 (0.53) NOTUMLMNATSHRKDM4EMEN1
SCHEMBL496797 0.71 NOTUM (0.43) NOTUMADORA3ADRB1DRD4DRD3
SCHEMBL2897703 0.71 BCHE (0.42) BCHENOTUMMGLLADORA3ADRB1
SCHEMBL979801 0.69 BCHE (0.41) BCHENOTUMMGLLADORA3ADRB1
SCHEMBL29842592 0.67 NOTUM (0.59) BCHENOTUM
SCHEMBL5549180 0.67 ALDH1A1 (0.58) BCHENOTUMTSHRKDM4EMEN1
SCHEMBL5128093 0.65 BCHE (0.38) BCHENOTUMMGLLADRB1LMNA

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
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 WO claimed
US-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2014-05-29 US disclosed
WO-2012070024-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY METASIGNAL THERAPEUTICS INC. (CA) 2012-05-31 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-20140148400-A1 CARBONIC ANHYDRASE INHIBITORS WITH ANTIMETASTATIC ACTIVITY CA7, CA4, CA2 BCHE 496/4885NOTUM 1354/4885MGLL 4451/4885

“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.