SCHEMBL18573166

SCHEMBL18573166

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)cc(C(=O)N(C)c2ccc(-c3ccccn3)cc2)c1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 2/20 0.47
ATM Q13315 1/20 0.47
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OXTR P30559 1/20 0.44
DHODH Q02127 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
GRM1 Q13255 1/20 0.43

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
SCHEMBL22059856 0.93 ABL1 (0.46) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL19933610 0.93 ABL1 (0.46) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL18573235 0.88 ABL1 (0.54) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21721909 0.88 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21125955 0.88 ABL1 (0.45) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL19933655 0.88 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21721929 0.86 CHEK2 (0.42) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL21397866 0.86 ABL1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL19933690 0.85 NPC1 (0.43) ABL1BCRKDM4EKMT2ATRPV1
SCHEMBL18573168 0.85 OXTR (0.49) ABL1BCRKDM4EKMT2ARAB9A

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-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO 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-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 ABL1 1894/4885BCR 3772/4885KDM4E 3482/4885

“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.