SCHEMBL17850979

SCHEMBL17850979

O=c1c2ccc(N3c4ccccc4-c4ccccc4Sc4ccccc4-c4ccccc43)cc2sc2cc(N3c4ccccc4-c4ccccc4Sc4ccccc4-c4ccccc43)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 4/20 0.33
BCHE P06276 2/20 0.33
CES2 O00748 1/20 0.33
GAA P10253 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HCRTR1 O43613 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL17850978 0.96 KDM4E (0.40) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL17850976 0.87 KDM4E (0.36) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL17850863 0.85 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1BCHE
SCHEMBL19319648 0.85 KDM4E (0.43) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL17850969 0.83 CDK8 (0.34) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL17850857 0.83 PTGER4 (0.41) HDAC6MEN1KMT2AKDM4EALDH1A1
SCHEMBL17752274 0.81 HDAC6 (0.33) HDAC6KDM4E
SCHEMBL17850968 0.80 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL17850856 0.80 PTGER4 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL17752277 0.78 KDM4E (0.37) HDAC6MEN1KMT2AKDM4EALDH1A1

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 5 patents. 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
US-20170163010-A1 ORGANIC LIGHT-EMITTING ELEMENT KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2017-06-08 US disclosed
EP-3171421-A1 ORGANIC LIGHT-EMITTING ELEMENT Kyushu University, National University Corporation (JP) 2017-05-24 EP disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
EP-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 EP 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 HDAC6 4183/4885MEN1 1375/4885KMT2A 1349/4885

“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.