SCHEMBL22893940

SCHEMBL22893940

c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5cc6oc7ccccc7c6c6ccccc56)c5ccccc5n4)c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL22893941 0.92 NPC1 (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22893999 0.90 KDM4E (0.36) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22893884 0.89 ALDH1A1 (0.33) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL21923541 0.87 ALDH1A1 (0.34) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22894110 0.86 KDM4E (0.38) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL22894085 0.86 ALDH1A1 (0.33) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL19239415 0.85 KDM4E (0.34) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL22893945 0.85 NPC1 (0.33) NPC1RAB9AL3MBTL1
SCHEMBL19239413 0.85 PDE10A (0.36) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL22893974 0.85 KDM4E (0.31) MAPTKDM4EALDH1A1HPGDNPSR1

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 2195/4885MAPT 1428/4885

“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.