SCHEMBL19780650

SCHEMBL19780650

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 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 8/20 0.47
ABL1 P00519 3/20 0.46
BCR P11274 2/20 0.46
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A7 Q99884 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL19781185 0.83 ABL1 (0.44) ABL1BCRSLC6A7TRPV1
SCHEMBL21480942 0.81 FASN (0.47) FASN
SCHEMBL18573166 0.77 ABL1 (0.51) ABL1BCRKDM4ERAB9ASMN1; SMN2
SCHEMBL9001847 0.77 FASN (0.52) FASNKDM4E
SCHEMBL19780755 0.74 ALDH1A1 (0.49) FASNKDM4ERAB9ASMN1; SMN2
SCHEMBL210344 0.73 DCTPP1 (0.52) ABL1BCRKDM4ERAB9ASMN1; SMN2
SCHEMBL21019389 0.73 KDM4E (0.50) ABL1BCRKDM4ERAB9ASMN1; SMN2
SCHEMBL31054349 0.73 DCTPP1 (0.52) ABL1BCRKDM4ERAB9ASMN1; SMN2
SCHEMBL19781177 0.72 MCHR1 (0.58) ABL1BCRSLC6A7TRPV1
SCHEMBL22059856 0.72 ABL1 (0.46) ABL1BCRKDM4ERAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (3 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FASN 3519/4885ABL1 2641/4885BCR 4083/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 FASN 3519/4885ABL1 2641/4885BCR 4083/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 FASN 3519/4885ABL1 2641/4885BCR 4083/4885

“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.