SCHEMBL21368352

SCHEMBL21368352

Brc1cccc2sc3cc(I)ccc3c12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MPI P34949 1/20 0.33
PLAU P00749 2/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
SLC9A1 P19634 1/20 0.31
GPR3 P46089 1/20 0.30
PTPN1 P18031 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
SCHEMBL17252505 0.86 GPR3 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29819472 0.86 GPR3 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL25057525 0.79 MCL1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15989801 0.79 KDM4E (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24343679 0.79 MAOA (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29533985 0.79 KDM4E (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29520053 0.77 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL29869583 0.77 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL7912643 0.77 GPR3 (0.54) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21622688 0.77 LIMK1 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023152063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-08-17 WO disclosed
WO-2023134228-A1 NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2023-07-20 WO disclosed
US-11302870-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2022-04-12 US disclosed
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US disclosed
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-19 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 (3 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-11302870-B2 Materials for electronic devices EFNA1, PNMT, FLNB ALDH1A1 365/4885MAPT 2423/4885HPGD 1183/4885
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR ALDH1A1 323/4885MAPT 2103/4885HPGD 1884/4885
US-20190288206-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, PNMT, FLNB ALDH1A1 337/4885MAPT 2480/4885HPGD 1126/4885

“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.