SCHEMBL21398045

SCHEMBL21398045

C=N/C(=C\C=C/C)c1ccc(C(=O)Oc2cc(OC(=O)c3ccc(-c4ccccn4)cc3)cc(-c3cccc(-c4cc(OC(=O)c5ccc(-c6ccccn6)cc5)cc(OC(=O)c5ccc(-c6ccccn6)cc5)c4)c3-c3ccc(-c4ncccn4)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ SMO Q99835 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ TRPV1 Q8NER1 2/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ SREBF2 Q12772 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
SCHEMBL20007364 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL21721928 0.78 CHEK2 (0.40) SMN1; SMN2NPC1RAB9AABL1BCR
SCHEMBL21398030 0.75 MAPK14 (0.30) MAPK14
SCHEMBL20169564 0.74 KDM4E (0.37) SMN1; SMN2NPC1RAB9AABL1BCR
SCHEMBL22085115 0.73 MAPK1 (0.38) SMN1; SMN2NPC1MAPTTP53ABL1
SCHEMBL18573212 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL20068730 0.71 SMN1; SMN2 (0.50) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL21721905 0.70 SMN1; SMN2 (0.47) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL19933542 0.69 SMN1; SMN2 (0.52) SMN1; SMN2NPC1MAPTKMT2ATP53
SCHEMBL22147418 0.68 CNR1 (0.37) GRM5KDM4ESCN5ASCN9A

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 2 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
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 SMN1; SMN2 4327/4885NPC1 3230/4885MAPT 1256/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 SMN1; SMN2 4327/4885NPC1 3230/4885MAPT 1256/4885

“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.

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