SCHEMBL10053261

SCHEMBL10053261

Brc1sc2ccccc2c1-c1c(Br)sc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 4/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19997929 0.80 NQO1 (0.38) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL19997895 0.80 ALDH1A1 (0.41) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL29434786 0.80 GPR3 (0.55) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL309376 0.80 GPR3 (0.55) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL18736928 0.79 G6PD (0.40) GPR3ALDH1A1MAPTMEN1KMT2A
SCHEMBL10053267 0.79 G6PD (0.40) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL23870646 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL3603009 0.76 GPR3 (0.50) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL28479943 0.76 MAPT (0.52) GPR3ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL28378900 0.76 LOXL2 (0.53) GPR3ALDH1A1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10749117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2020-08-18 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-9893297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
US-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2017-04-13 US disclosed
WO-2012016630-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-02-09 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 (2 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-20170104165-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, CYP2C19, SDHB GPR3 4729/4885ALDH1A1 58/4885MAPT 2005/4885
US-10749117-B2 Materials for electronic devices EFNA1, CYP2C19, SDHB GPR3 4729/4885ALDH1A1 58/4885MAPT 2005/4885

“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.