SCHEMBL19009838

SCHEMBL19009838

[O-][S+](c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c4c5ccccc5c5ccccc5c4c3c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.34
DHODH Q02127 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSMB5 P28074 1/20 0.32
EGFR P00533 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ADORA2A P29274 1/20 0.31
NUDT1 P36639 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MPI P34949 1/20 0.31
ATM Q13315 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL19009804 0.82 DHFR (0.40) DHODHMEN1KMT2AKDM4ELMNA
SCHEMBL19009781 0.79 MEN1 (0.33) ACACADHODHMEN1KMT2AKDM4E
SCHEMBL19009800 0.77 TOP1 (0.38) ACACADHODHLMNAPDE10A
SCHEMBL19726379 0.73 MYC (0.46) ACACAMEN1KMT2AKDM4ELMNA
SCHEMBL19009790 0.72 MKNK1 (0.33) DHODHMEN1KMT2AADORA2ANUDT1
SCHEMBL19009799 0.71 TOP1 (0.35) DHODHKDM4ELMNAGAAALDH1A1
SCHEMBL17914884 0.71 CYP11B1 (0.44) ACACADHODHMEN1KMT2AKDM4E
SCHEMBL17914707 0.69 DHODH (0.50) DHODHMEN1KMT2AKDM4ELMNA
SCHEMBL17914998 0.68 LMNA (0.49) DHODHMEN1KMT2AKDM4ELMNA
SCHEMBL17914714 0.68 DHODH (0.46) DHODHMEN1KMT2AKDM4ELMNA

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 ACACA 458/4885DHODH 1619/4885MEN1 611/4885

“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.