SCHEMBL22893945

SCHEMBL22893945

c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)ccc2n1-c1nc(-c2cc3oc4ccccc4c3c3ccccc23)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL24030133 0.93 TDP1 (0.31) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL22893941 0.92 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1
SCHEMBL22893802 0.92 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1SIRT2
SCHEMBL22893997 0.91 SIRT2 (0.33) NPC1RAB9AL3MBTL1SIRT2SIRT1
SCHEMBL22894035 0.90 TDP1 (0.31) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL22894101 0.89 L3MBTL1 (0.36) NPC1RAB9ATDP1L3MBTL1SIRT2
SCHEMBL24030380 0.87 TDP1 (0.32) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL24030399 0.87 ALOX5 (0.32) SIRT2SIRT1
SCHEMBL22893892 0.87 ALDH1A1 (0.33) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL24030293 0.87 TDP1 (0.31) TDP1L3MBTL1

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 2195/4885TDP1 2654/4885

“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.