SCHEMBL12197829

SCHEMBL12197829

c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cn5ccccc5n4)cc3)c3c4ccccc4c4cc(-c5cnc6c(ccc7cccnc76)c5)c5ccccc5c4c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.34
▸ KDM4E B2RXH2 11/20 0.34
▸ NPC1 O15118 10/20 0.34
▸ ALDH1A1 P00352 7/20 0.34
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ MAPT P10636 5/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GFER P55789 2/20 0.33
▸ PKM P14618 5/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ HPGD P15428 4/20 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
SCHEMBL12197815 0.88 RAB9A (0.41) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197797 0.86 RAB9A (0.39) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197821 0.85 ALDH1A1 (0.46) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197798 0.84 CCR1 (0.36) KDM4EMAPTHPGD
SCHEMBL12023463 0.83 RAB9A (0.35) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12201461 0.82 RAB9A (0.47) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197811 0.81 RAB9A (0.36) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197827 0.81 ESR1 (0.38) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL12197816 0.80 RAB9A (0.38) RAB9AKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL12197831 0.79 KDM4E (0.33) RAB9AKDM4ENPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2764/4885NPC1 1328/4885

“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.

Send feedback