SCHEMBL21937508

SCHEMBL21937508

C[S+]([O-])c1ccccc1-c1ccc(Br)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 2/20 0.31
PDK2 Q15119 1/20 0.30
GAA P10253 2/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
HSD11B1 P28845 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31223191 1.00 PTPRC (0.36) PTPRCSMN1; SMN2CSNK2A2CSNK2BCSNK2A1
SCHEMBL22700240 0.87 SMN1; SMN2 (0.42) PTPRCSMN1; SMN2PDE2APDE10ARXFP1
SCHEMBL22891631 0.87 SMN1; SMN2 (0.36) PTPRCSMN1; SMN2TDP1L3MBTL1PDE2A
SCHEMBL22195510 0.84 SMN1; SMN2 (0.39) PTPRCSMN1; SMN2TDP1L3MBTL1PDE2A
SCHEMBL24589172 0.82 PTGS2 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3PDK2
SCHEMBL25905318 0.79 PTPRC (0.42) PTPRCTDP1L3MBTL1MAPTPOLB
SCHEMBL31223185 0.77 S100A4 (0.36) SMN1; SMN2PDK2GAAHSD11B1
SCHEMBL21879772 0.77 S100A4 (0.36) SMN1; SMN2PDK2GAAHSD11B1
SCHEMBL18529231 0.75 CYP2A6 (0.39) PTPRCTDP1L3MBTL1RXFP1KMT2A
SCHEMBL21879766 0.75 CYP2A6 (0.36) SMN1; SMN2L3MBTL1RXFP1MAPT

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-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD (KR) 2021-12-09 US disclosed
WO-2021145651-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-22 WO disclosed
WO-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 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-20210380568-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, VDAC2 PTPRC 2170/4885SMN1; SMN2 834/4885CSNK2A2 2608/4885

“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.