SCHEMBL22893941

SCHEMBL22893941

c1ccc2c(-c3cc4oc5ccccc5c4c4ccccc34)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.33
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL22893940 0.92 NPC1 (0.32) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL22893945 0.92 NPC1 (0.33) NPC1RAB9AL3MBTL1TDP1
SCHEMBL22894110 0.92 KDM4E (0.38) NPC1RAB9APOLBKDM4EL3MBTL1
SCHEMBL22893999 0.91 KDM4E (0.36) NPC1RAB9APOLBKDM4EL3MBTL1
SCHEMBL22893878 0.89 NPC1 (0.36) NPC1RAB9APOLBKDM4EL3MBTL1
SCHEMBL21213105 0.88 NPC1 (0.37) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL22893789 0.87 KDM4E (0.31) NPC1RAB9AKDM4EL3MBTL1ATM
SCHEMBL22893802 0.85 NPC1 (0.36) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL21161561 0.84 ALOX5 (0.36) NPC1RAB9APOLBKDM4EL3MBTL1
SCHEMBL24030133 0.84 TDP1 (0.31) L3MBTL1TDP1

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 NPC1 2657/4885RAB9A 2195/4885POLB 2906/4885

“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.