SCHEMBL19794446

SCHEMBL19794446

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDGFRB P09619 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.38
DYRK1A Q13627 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL18015596 1.00 LDHA (0.53) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL23956296 0.97 LDHA (0.50) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL18015476 0.95 LDHA (0.57) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL18015292 0.90 NPC1 (0.43) LDHARAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL23956250 0.89 ENPP3 (0.46) LDHARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19794359 0.88 LDHA (0.48) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL18015491 0.88 LDHA (0.54) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL23956256 0.88 LDHA (0.54) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL21202787 0.88 LDHA (0.50) LDHARAB9ANPC1SMN1; SMN2PDGFRB
SCHEMBL21125949 0.88 LDHA (0.54) LDHARAB9ANPC1SMN1; SMN2PDGFRB

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 2726/4885RAB9A 2171/4885NPC1 4039/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885RAB9A 1433/4885NPC1 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.