SCHEMBL22894101

SCHEMBL22894101

c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1nc(-c2cc3oc4ccccc4c3c3ccccc23)c2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 7/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 4/20 0.33
SIRT2 Q8IXJ6 4/20 0.33
SIRT1 Q96EB6 4/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32
AHR P35869 1/20 0.32
PAX8 Q06710 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL22893802 0.95 NPC1 (0.36) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22894064 0.92 TDP1 (0.33) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22893945 0.89 NPC1 (0.33) L3MBTL1TDP1NPC1RAB9ASIRT2
SCHEMBL22893887 0.89 TDP1 (0.32) L3MBTL1TDP1
SCHEMBL22894102 0.88 ALDH1A1 (0.31) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22893878 0.88 NPC1 (0.36) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22894104 0.88 L3MBTL1 (0.36) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22893962 0.87 TDP1 (0.30) L3MBTL1TDP1
SCHEMBL22893993 0.86 ALDH1A1 (0.39) L3MBTL1TDP1NPC1RAB9AHPGD
SCHEMBL22893828 0.86 L3MBTL1 (0.37) L3MBTL1TDP1NPC1RAB9AHPGD

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 L3MBTL1 1367/4885TDP1 2654/4885NPC1 2657/4885

“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.