SCHEMBL19794437

SCHEMBL19794437

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)cc(-c2ccccc2-c2cnc(-c3ccc4c(c3)C(C)(C)CC4(C)C)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
RARB P10826 4/20 0.40
RARG P13631 4/20 0.40
RXRA P19793 2/20 0.40
RARA P10276 3/20 0.36
DYRK1A Q13627 2/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP4K1 Q92918 2/20 0.33
DGAT1 O75907 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL19794375 0.96 RARG (0.40) LDHARARBRARGRXRARARA
SCHEMBL18573107 0.91 RARB (0.36) LDHARARBRARGRXRARARA
SCHEMBL19794436 0.89 RARG (0.47) LDHARARBRARGRXRARARA
SCHEMBL18573262 0.88 PGR (0.35) LDHARARBRARGRXRABACE1
SCHEMBL18015686 0.88 LDHA (0.46) LDHARARBRARGRXRADYRK1A
SCHEMBL18573101 0.84 RARB (0.36) LDHARARBRARGRXRARARA
SCHEMBL18015476 0.83 LDHA (0.57) LDHANPC1RAB9APDGFRBKDR
SCHEMBL19794458 0.82 RARB (0.46) LDHARARBRARGRXRARARA
SCHEMBL16998408 0.81 RARG (0.50) LDHARARBRARGRXRARARA
SCHEMBL18572774 0.81 TRPV1 (0.32) NPC1RAB9A

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885RARB 2999/4885RARG 3090/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885RARB 3726/4885RARG 3136/4885

“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.