SCHEMBL14329647

SCHEMBL14329647

c1ccc2oc(-c3ccc(-n4c5cccnc5c5c6ccc7cc8c(c9ccc(cc54)c6c79)c4ncccc4n8-c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL14329645 0.84 NPC1 (0.37) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14329583 0.82 ALDH1A1 (0.35) KDM4EALDH1A1MAPTTSHRMEN1
SCHEMBL14329605 0.80 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL14329571 0.80 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL14329609 0.79 ESR1 (0.47) KDM4EALDH1A1MAPTTSHRMAPK1
SCHEMBL14329629 0.78 RAB9A (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14329580 0.77 HPGD (0.36) RAB9AKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL14329597 0.77 MAPK10 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL14329610 0.77 ALDH1A1 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL16546921 0.76 NPC1 (0.43) NPC1RAB9AKDM4EALDH1A1HPGD

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-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D NPC1 2213/4885RAB9A 2148/4885KDM4E 3157/4885

“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