SCHEMBL19009804

SCHEMBL19009804

[O-][S+](c1ccccc1)c1ccc(-c2ccc3c(c2)nc(-c2ccccc2)c2c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.40
DHODH Q02127 6/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HRH4 Q9H3N8 1/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALK Q9UM73 1/20 0.32
ADORA2A P29274 1/20 0.31
NUDT1 P36639 1/20 0.31

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
SCHEMBL19009838 0.82 ACACA (0.34) DHODHGAAL3MBTL1KDM4ELMNA
SCHEMBL17300245 0.80 TDP1 (0.41) DHFRDHODHTDP1
SCHEMBL19009790 0.80 MKNK1 (0.33) DHFRDHODHMEN1KMT2AADORA2A
SCHEMBL17300201 0.79 DHODH (0.42) DHFRDHODHPIK3CAGAAL3MBTL1
SCHEMBL17914707 0.79 DHODH (0.50) DHODHGAAL3MBTL1KDM4ELMNA
SCHEMBL17300228 0.78 MEN1 (0.48) DHFRDHODHGAAL3MBTL1KDM4E
SCHEMBL17300241 0.78 DHFR (0.40) DHFRDHODHPIK3R1PIK3CAHRH4
SCHEMBL17914812 0.78 DHODH (0.44) DHODHGAAL3MBTL1KDM4ELMNA
SCHEMBL17914714 0.77 DHODH (0.46) DHODHGAAL3MBTL1KDM4ELMNA
SCHEMBL23861210 0.77 ADORA2A (0.42) DHFRDHODHESR1ESR2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 US disclosed
US-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 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-20170179407-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 DHFR 2110/4885DHODH 1619/4885PIK3R1 4860/4885

“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.