SCHEMBL19933602

SCHEMBL19933602

O=C(Nc1ccc(-c2cc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)ncn2)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.60
HSD11B1 P28845 1/20 0.51
KMO O15229 3/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
AGTR1 P30556 1/20 0.48
GRM4 Q14833 1/20 0.48
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
MAPK1 P28482 1/20 0.45
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNE1 P15382 1/20 0.45
KCNQ1 P51787 1/20 0.45
CSF1R P07333 1/20 0.44

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
SCHEMBL19933630 0.79 TRPV1 (0.63) GRM4PTPN1PTPN2
SCHEMBL31396427 0.79 ROCK2 (0.53) SMOHSD11B1KMOMAPTGAA
SCHEMBL24175505 0.79 ROCK2 (0.53) SMOHSD11B1KMOMAPTGAA
SCHEMBL31396429 0.79 ROCK2 (0.53) SMOHSD11B1KMOMAPTGAA
SCHEMBL23812442 0.76 XDH (0.43) HSD11B1MAPTGAAAGTR1GRM4
SCHEMBL9851195 0.76 NQO2 (0.70) HSD11B1GRM4MAPK1CSF1R
SCHEMBL1938957 0.75 KMO (0.57) SMOKMO
Hydrochloric Acid SCHEMBL25403838 0.75 XDH (0.43) HSD11B1MAPTGAAAGTR1GRM4
SCHEMBL1459180 0.74 MEN1 (0.64)
SCHEMBL3453972 0.74 MEN1 (0.67) HSD11B1MAPTGRM4

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 SMO 4366/4885HSD11B1 4881/4885KMO 1987/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG SMO 4366/4885HSD11B1 4881/4885KMO 1987/4885

“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.