SCHEMBL19175997

SCHEMBL19175997

O=c1c2ccccc2sc2cc(-c3ccc(N4c5ccccc5C5(c6ccccc6Sc6cc(-c7ccc8c(=O)c9ccc(N%10c%11ccccc%11C%11(c%12ccccc%12Sc%12ccccc%12%11)c%11ccccc%11%10)cc9sc8c7)ccc65)c5ccccc54)cc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL17752276 0.96 KDM4E (0.34) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17752277 0.92 KDM4E (0.37) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19176040 0.91
SCHEMBL17752274 0.89 HDAC6 (0.33) KDM4E
SCHEMBL17752275 0.86
SCHEMBL17752269 0.86 KDM4E (0.36) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19175873 0.85 KDM4E (0.31) KDM4ENPC1RAB9AL3MBTL1
SCHEMBL17752265 0.83 KDM4E (0.36) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL17752267 0.83 KDM4E (0.34) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL19175756 0.83 NPC1 (0.40) KDM4ENPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND KYULUX, INC. (JP) 2017-07-27 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-20170213974-A1 ORGANIC LIGHT-EMITTING DEVICE, HOST MATERIAL, LIGHT-EMITTING MATERIAL, AND COMPOUND CRY1, CRY2, CYBA KDM4E 2784/4885NPC1 3146/4885ALDH1A1 269/4885

“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.