SCHEMBL24312894

SCHEMBL24312894

c1ccc(N(c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7nn(-c8ccccc8)nc7c6)cc5)cc4)cc3)cc2)c2ccc3nn(-c4ccccc4)nc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.46
ALDH1A1 P00352 9/20 0.46
RAB9A P51151 9/20 0.46
KDM4E B2RXH2 8/20 0.46
MAPT P10636 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
STAT1 P42224 1/20 0.46
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 7/20 0.40
TP53 P04637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALOX5 P09917 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL22007082 0.99 NPC1 (0.47) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007073 0.92 NPC1 (0.53) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007083 0.92 NPC1 (0.53) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007066 0.92 NPC1 (0.53) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007463 0.91 ALOX5 (0.42) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22181779 0.89 KDM4E (0.44) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007462 0.89 KDM4E (0.44) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22686630 0.88 KDM4E (0.39) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL23387558 0.88 NPC1 (0.47) NPC1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL22007067 0.88 NPC1 (0.47) NPC1ALDH1A1RAB9AKDM4EMAPT

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-20220102635-A1 ORGANIC LIGHT-EMITTING ELEMENT USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUND SFC CO., LTD. (KR) 2022-03-31 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-20220102635-A1 ORGANIC LIGHT-EMITTING ELEMENT USING POLYCYCLIC AROMATIC DERIVATIVE COMPOUND TRPA1, TYR, ZKSCAN2 NPC1 2762/4885ALDH1A1 1979/4885RAB9A 3446/4885

“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.