SCHEMBL19009840

SCHEMBL19009840

O=S(=O)(c1ccccc1)c1cccc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3ccccc23)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HSD11B1 P28845 2/20 0.33
TOP2A P11388 1/20 0.32
KAT6A Q92794 1/20 0.31
KDM4E B2RXH2 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL19009811 0.90 TOP2A (0.36) TDP1HTR6TOP2AMAPT
SCHEMBL19009863 0.83 HSD11B1 (0.34) TDP1HTR1AHTR2AHTR7HTR6
SCHEMBL19009782 0.81 HTR1A (0.33) TDP1HTR1AHTR2AHTR7HTR6
SCHEMBL19009864 0.79 ALDH1A1 (0.36) TDP1HTR1AHTR2AHTR7HTR6
SCHEMBL19009865 0.79 TDP1 (0.36) TDP1HTR1AHTR2AHTR7HTR6
SCHEMBL19009839 0.77 PRMT5 (0.38) TDP1HTR1AHTR2AHTR7HTR6
SCHEMBL19009824 0.75 TOP1 (0.33)
SCHEMBL19009780 0.74 KAT6A (0.35) HTR1AHTR2AHTR7HTR6HSD11B1
SCHEMBL19009793 0.73 NPY1R (0.35) TDP1MAPT
SCHEMBL19846079 0.73 HSD11B1 (0.48) HTR6HSD11B1KAT6ACA12CA1

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 TDP1 2848/4885HTR1A 2428/4885HTR2A 4102/4885

“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.