SCHEMBL19933738

SCHEMBL19933738

CN(C(=O)c1cc(C(=O)N(C)c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3cccc(-c4ccc(-c5ccccc5-c5cc(C(=O)N(C)c6ccc(-c7ccccc7)nc6)cc(C(=O)N(C)c6ccc(-c7ccccc7)nc6)c5)cn4)c3)nc2)c1)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.51
LDHA P00338 1/20 0.43
BAZ2B Q9UIF8 1/20 0.41
MLNR O43193 4/20 0.41
AVPR1A P37288 1/20 0.40
ATM Q13315 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
HSD17B2 P37059 3/20 0.39
HSD17B1 P14061 2/20 0.39
HPGDS O60760 1/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
EGFR P00533 1/20 0.38
PRKCA P17252 1/20 0.38
TSHR P16473 1/20 0.38

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 0.99 OXTR (0.52) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL18573165 0.90 OXTR (0.56) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL21397870 0.89 OXTR (0.45) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL18573410 0.89 OXTR (0.43) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL21721909 0.86 ABL1 (0.43) OXTRMLNRATMPTPN2PTPN1
SCHEMBL22059448 0.84 OXTR (0.51) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL19933593 0.84 OXTR (0.51) OXTRLDHABAZ2BMLNRATM
SCHEMBL23018754 0.84 OXTR (0.40) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL20007063 0.83 OXTR (0.41) OXTRLDHABAZ2BMLNRAVPR1A
SCHEMBL22059897 0.82 GPBAR1 (0.41) OXTRMLNRHSD17B2HSD17B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 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 (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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG OXTR 1526/4885LDHA 2820/4885BAZ2B 596/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG OXTR 1526/4885LDHA 2820/4885BAZ2B 596/4885

“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.