SCHEMBL20176828

SCHEMBL20176828

NC(=O)c1cn(-c2ccc(Br)cc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
DGAT1 O75907 1/20 0.39
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP1 P29466 1/20 0.35
CLK1 P49759 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
SCHEMBL31069484 0.83 KMT2A (0.42) COMTCA12CA1CA2CA9
SCHEMBL20176823 0.74 POLB (0.46) COMTFAAHMGLLGAAHSD17B10
SCHEMBL21579385 0.70 FAAH (0.43) COMTFAAHMGLL
SCHEMBL715572 0.69 CA12 (0.47) CA12CA1CA2CA9MAPK1
SCHEMBL27858730 0.69 KMT2A (0.51) CA12CA1CA2CA9HTT
SCHEMBL31211696 0.68 KMT2A (0.50) COMTMGLLMAPK1HSD17B10ALDH1A1
SCHEMBL20176617 0.68 KMT2A (0.53) FAAHMGLLHSD17B10LMNAHPGD
SCHEMBL21639408 0.67 NPC1 (0.47) CA12CA1CA2CA9GAA
SCHEMBL29811977 0.66 IRAK4 (0.35) CA12CA1CA2CA9MAPK1
SCHEMBL20401803 0.65 NPC1 (0.44) CA12CA2CA9FAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 COMT 1528/4885CA12 3712/4885CA1 3642/4885

“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.