SCHEMBL19989725

SCHEMBL19989725

Brc1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR3 P46089 1/20 0.40
ADORA2A P29274 7/20 0.37
NUDT1 P36639 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APP P05067 1/20 0.34
PRNP P04156 1/20 0.33

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
SCHEMBL18942945 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19986164 0.83 ADORA2A (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19781960 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15040965 0.82 ALDH1A1 (0.49) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15003486 0.77 HTR2B (0.44) ALDH1A1MAPTSMN1; SMN2ADORA2ANUDT1
SCHEMBL24255932 0.77 NUDT1 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19781959 0.77 ADORA2A (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15003455 0.76 ADORA2A (0.56) ALDH1A1MAPTHPGDADORA2ANUDT1
SCHEMBL29527480 0.76 ADORA2A (0.56) ALDH1A1MAPTHPGDADORA2ANUDT1
SCHEMBL24266810 0.76 L3MBTL1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880045-B Compound for organic photoelectric device, composition for organic photoelectric device, and display device 三星SDI株式会社 2021-10-29 CN disclosed
US-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device SAMSUNG SDI CO., LTD. (KR) 2018-07-24 US disclosed
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-29 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 (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-10032999-B2 Compound for organic optoelectric device, composition for organic optoelectric device and organic optoelectric device and display device OXER1, OCIAD1, OR10J3 ALDH1A1 57/4885MAPT 2219/4885HPGD 1203/4885
US-20180090690-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE OXER1, OCIAD1, OR10J3 ALDH1A1 57/4885MAPT 2219/4885HPGD 1203/4885

“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.