SCHEMBL19009864

SCHEMBL19009864

O=S(=O)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3ccccc23)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTR6 P50406 6/20 0.35
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM5 P41594 2/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 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
SCHEMBL19009810 0.84 HTR6 (0.36) ALDH1A1KDM4ETDP1HTR6NPSR1
SCHEMBL19009818 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1NPSR1LMNA
SCHEMBL19009865 0.81 TDP1 (0.36) ALDH1A1KDM4ETDP1HTR6LMNA
SCHEMBL19009783 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ETDP1HTR6NPSR1
SCHEMBL19009839 0.79 PRMT5 (0.38) TDP1HTR6NPSR1LMNACYP1A2
SCHEMBL19009840 0.79 TDP1 (0.34) ALDH1A1KDM4ETDP1HTR6NPSR1
SCHEMBL19009805 0.74 HTR6 (0.36) ALDH1A1KDM4ETDP1HTR6NPSR1
SCHEMBL19009835 0.74 TOP1 (0.34) ALDH1A1LMNA
SCHEMBL17300247 0.74 TDP1 (0.46) ALDH1A1KDM4ETDP1HTR6NPSR1
SCHEMBL19009811 0.73 TOP2A (0.36) TDP1HTR6LMNAPKM

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 ALDH1A1 163/4885KDM4E 3813/4885TDP1 2848/4885

“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.