SCHEMBL19519600

SCHEMBL19519600

NC[C@@H](O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
HTR3A P46098 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
HTT P42858 1/20 0.40
ADRA2A P08913 3/20 0.39
ADRA1A P35348 3/20 0.39
APEX1 P27695 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRB2 P07550 3/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
ADRA1B P35368 2/20 0.38

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
SCHEMBL11485515 1.00 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2TAAR1
SCHEMBL7148676 1.00 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2TAAR1
SCHEMBL30154042 1.00 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2TAAR1
SCHEMBL1444988 0.83 IDO1 (0.48) IDO1TAAR1HTR3ATSHRNFKB1
SCHEMBL7143938 0.83 TAAR1 (0.38) IDO1TAAR1HTR3ATSHRNFKB1
SCHEMBL4975851 0.82 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2HTT
SCHEMBL13035459 0.82 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2HTT
SCHEMBL29811265 0.82 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2HTT
SCHEMBL31376555 0.82 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2HTT
SCHEMBL1134282 0.82 SLC18A3 (0.43) SLC18A3SIGMAR1IDO1TDO2HTT

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-2021150918-A1 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE SUMO INHIBITORS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2021-07-29 WO disclosed
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 US disclosed
US-9796735-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2017-10-24 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-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 SLC18A3 4507/4885SIGMAR1 2325/4885IDO1 1916/4885

“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.