SCHEMBL21398046

SCHEMBL21398046

c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3-c3cc(-c4ccccc4-c4cnc(-c5ccccc5)cc4-c4ccccc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6cnc(-c7ccccc7)cc6-c6ccccc6)cc(-c6ccccc6-c6cnc(-c7ccccc7)cc6-c6ccccc6)c5)c4-c4cnc(-c5ccccc5)nc4)c3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
NFKB1 P19838 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGDS O60760 10/20 0.38
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL21397962 0.86 NPC1 (0.44) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18015292 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL21202848 0.83 IDO1 (0.44) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL21398063 0.82 HPGDS (0.46) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL18015492 0.81 LDHA (0.44) NPC1RAB9ASMN1; SMN2HPGDSIDO1
SCHEMBL19834634 0.81 ADORA2A (0.39) NPC1RAB9ASMN1; SMN2IDO1TDO2
SCHEMBL21125093 0.81 LDHA (0.44) NPC1RAB9ASMN1; SMN2HPGDSIDO1
SCHEMBL18015599 0.81 LDHA (0.44) NPC1RAB9ASMN1; SMN2HPGDSIDO1
SCHEMBL23956184 0.80 LDHA (0.42) NPC1RAB9ASMN1; SMN2HPGDSIDO1
SCHEMBL19794464 0.80 LDHA (0.42) NPC1RAB9ASMN1; SMN2HPGDSIDO1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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 (2 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 NPC1 3230/4885NFKB1 2713/4885RAB9A 1967/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 NPC1 3230/4885NFKB1 2713/4885RAB9A 1967/4885

“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.