SCHEMBL19781185

SCHEMBL19781185

O=C(C1CC(C(=O)N(c2ccccc2)c2ccc(-c3ccccn3)cc2)CC(C(=O)N(c2ccccc2)c2ccc(-c3ccccn3)cc2)C1)N(c1ccccc1)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.44
BCR P11274 2/20 0.44
DHODH Q02127 1/20 0.42
SLC6A7 Q99884 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
KDM2B Q8NHM5 2/20 0.39
DAGLB Q8NCG7 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
CYP2A6 P11509 1/20 0.37
SYK P43405 1/20 0.37
GRIN2B Q13224 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL19780650 0.83 FASN (0.47) ABL1BCRSLC6A7TRPV1
SCHEMBL9001893 0.80 NPSR1 (0.54)
SCHEMBL18573293 0.77 ABL1 (0.48) ABL1BCRDHODHSLC6A7TRPV1
SCHEMBL6356563 0.73 KDM4E (0.50) ABL1BCRDHODHCYP2A6
SCHEMBL21012595 0.73 KDM4E (0.50) ABL1BCRDHODHCYP2A6
SCHEMBL19780959 0.71 ELANE (0.47) ABL1BCRDHODHSLC6A7KDM2B
SCHEMBL21477385 0.71 PTPN2 (0.53) ABL1TRPV1
SCHEMBL28214265 0.71 CYP2A6 (0.57) DHODHSLC6A7CYP2A6
SCHEMBL20427797 0.71 CYP1A2 (0.47) DHODHCYP2A6
SCHEMBL9001849 0.71 HTT (0.47)

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 ABL1 2641/4885BCR 4083/4885DHODH 3981/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ABL1 2641/4885BCR 4083/4885DHODH 3981/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ABL1 2641/4885BCR 4083/4885DHODH 3981/4885

“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.