SCHEMBL19933601

SCHEMBL19933601

O=C(Nc1ccc(-c2ccccc2)nc1)c1cc(Cl)cc(C(=O)Nc2ccc(-c3ccccc3)nc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.68
PTPN2 P17706 1/20 0.68
KCNQ3 O43525 6/20 0.58
KCNQ2 O43526 6/20 0.58
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
KCNE1 P15382 4/20 0.54
KCNQ1 P51787 4/20 0.54
TRPV1 Q8NER1 1/20 0.54
KCNQ5 Q9NR82 1/20 0.50
KDR P35968 1/20 0.50
ADORA1 P30542 1/20 0.49
P4HTM Q9NXG6 2/20 0.49
BAZ2B Q9UIF8 1/20 0.49
GRM4 Q14833 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
LDHA P00338 1/20 0.48

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
SCHEMBL18573217 0.93 PTPN1 (0.78) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL20641462 0.86 PTPN1 (0.91) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL19933523 0.84 TRPV1 (0.60) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL19933630 0.81 TRPV1 (0.63) PTPN1PTPN2TRPV1GRM4
SCHEMBL23018779 0.79 TRPV1 (0.55) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL18573397 0.79 BAZ2B (0.68) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL14378766 0.78 PTPN1 (0.81) PTPN1PTPN2KCNQ3KCNQ2PTPN6
SCHEMBL4870704 0.78 PTPN1 (0.67) PTPN1PTPN2PTPN6PTPN11BAZ2B
SCHEMBL5046341 0.77 KCNK3 (0.65) PTPN1
SCHEMBL22563324 0.77 TRPV1 (0.53) PTPN1PTPN2KCNQ3KCNQ2PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
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
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO 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 (5 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 PTPN1 3538/4885PTPN2 3143/4885KCNQ3 377/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 PTPN1 4736/4885PTPN2 4458/4885KCNQ3 258/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG PTPN1 3538/4885PTPN2 3143/4885KCNQ3 377/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PTPN1 4736/4885PTPN2 4458/4885KCNQ3 258/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT PTPN1 4133/4885PTPN2 3687/4885KCNQ3 138/4885

“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.