SCHEMBL12197849

SCHEMBL12197849

OB(O)c1ccc(C2Nc3ccccc3N2c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 1/20 0.39
ABCB1 P08183 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
JAK2 O60674 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
ENPP2 Q13822 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL9795646 0.85 KDM4E (0.51) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL29360687 0.85 KDM4E (0.51) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL22444376 0.83 KDM4E (0.50) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL19675068 0.82 RAB9A (0.50) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL457928 0.81 RAB9A (0.49) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL19628225 0.81 RAB9A (0.49) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL10023111 0.80 RAB9A (0.47) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL12944860 0.78 RAB9A (0.44) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL13350159 0.77 RAB9A (0.46) RAB9AKDM4EALDH1A1HPGDMAPT
SCHEMBL15856913 0.77 KDM4E (0.43) RAB9AKDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017074052-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2017-05-04 WO disclosed
WO-2017074053-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-05-04 WO disclosed
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 RAB9A 3693/4885KDM4E 2764/4885ALDH1A1 837/4885

“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.