SCHEMBL21397870

SCHEMBL21397870

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)nc2)cc(-c2cccc(-c3cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)cc(C(=O)N(C)c4ccc(-c5ccccc5)nc4)c3)c2-c2cnc(-c3ccccc3)nc2)c1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.45
ATM Q13315 1/20 0.39
LDHA P00338 1/20 0.39
MLNR O43193 4/20 0.39
BAZ2B Q9UIF8 1/20 0.38
AVPR1A P37288 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGDS O60760 1/20 0.36
EGFR P00533 1/20 0.36
PRKCA P17252 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B2 P37059 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
SCHEMBL21125091 0.90 OXTR (0.52) OXTRATMLDHAMLNRBAZ2B
SCHEMBL19933738 0.89 OXTR (0.51) OXTRATMLDHAMLNRBAZ2B
SCHEMBL20007063 0.88 OXTR (0.41) OXTRATMLDHAMLNRBAZ2B
SCHEMBL22563638 0.87 OXTR (0.38) OXTRATMMLNRAVPR1ATSHR
SCHEMBL18573165 0.86 OXTR (0.56) OXTRATMLDHAMLNRBAZ2B
SCHEMBL19933593 0.83 OXTR (0.51) OXTRATMLDHAMLNRBAZ2B
SCHEMBL21397866 0.80 ABL1 (0.43) OXTRATMKMT2AKDM4E
SCHEMBL22059448 0.80 OXTR (0.51) OXTRATMLDHAMLNRBAZ2B
SCHEMBL18573410 0.79 OXTR (0.43) OXTRATMLDHAMLNRBAZ2B
SCHEMBL21397962 0.78 NPC1 (0.44) LDHABAZ2BKMT2AMEN1HPGDS

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 OXTR 1165/4885ATM 4246/4885LDHA 2122/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 OXTR 1165/4885ATM 4246/4885LDHA 2122/4885

“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.