SCHEMBL19794432

SCHEMBL19794432

CC(C)(C)c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)cc(-c4ccccc4-c4ccc(-c5ccccc5)nc4)c3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.42
KIF11 P52732 1/20 0.41
LDHA P00338 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HPGDS O60760 2/20 0.41
FAAH O00519 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19794371 0.97 KMT2A (0.49) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL19794456 0.93 NPC1 (0.43) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL19933578 0.87 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL18015574 0.87 LDHA (0.52) LDHAHPGDSHSD17B1HSD17B2FEN1
SCHEMBL18015298 0.87 ALOX5AP (0.42) MEN1KMT2ALDHAHPGDSHSD17B1
SCHEMBL19794513 0.86 MEN1 (0.40) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL19794491 0.86 NPC1 (0.42) MEN1NPC1NR2F2RAB9AKMT2A
SCHEMBL12524828 0.85 KIF11 (0.56) MEN1KMT2ATRPV1KIF11LDHA
SCHEMBL19794431 0.85 LDHA (0.50) NPC1RAB9ALDHAHPGDSHSD17B1
SCHEMBL21721920 0.85 LDHA (0.50) LDHAHPGDSHSD17B1HSD17B2FEN1

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 MEN1 2821/4885NPC1 4039/4885NR2F2 3184/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 MEN1 1212/4885NPC1 2761/4885NR2F2 1277/4885

“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.