SCHEMBL18015376

SCHEMBL18015376

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
ASIC3 Q9UHC3 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NR2F2 P24468 1/20 0.34
KMT2A Q03164 1/20 0.34
TGFBR1 P36897 2/20 0.33
DYRK1A Q13627 2/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2A6 P11509 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
DGAT1 O75907 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ENPP3 O14638 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
SCHEMBL19794451 0.96 LDHA (0.43) LDHAASIC3NPC1RAB9AMEN1
SCHEMBL19833453 0.93 LDHA (0.39) LDHAASIC3TGFBR1DYRK1ALMNA
SCHEMBL18015381 0.92 LDHA (0.40) LDHAASIC3TGFBR1PDCD1CD274
SCHEMBL21021324 0.89 LDHA (0.36) LDHATGFBR1DYRK1ATOP1ADORA1
SCHEMBL19833451 0.89 LDHA (0.36) LDHATGFBR1DYRK1ATOP1ADORA1
SCHEMBL18015378 0.88 TGFBR1 (0.38) LDHATGFBR1TOP1
SCHEMBL18015373 0.87 PIM1 (0.35) LDHATGFBR1MAPKAPK2
SCHEMBL19801361 0.86 LDHA (0.34) LDHANPC1RAB9AMEN1NR2F2
SCHEMBL18015382 0.86 TGFBR1 (0.43) LDHATGFBR1TOP1ADORA2AADORA1
SCHEMBL19794405 0.86 NPC1 (0.40) ASIC3NPC1RAB9AMEN1NR2F2

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 5 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
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885ASIC3 759/4885NPC1 4039/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885ASIC3 488/4885NPC1 2761/4885

“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.