SCHEMBL19794380

SCHEMBL19794380

c1ccc(-c2cnc3c(ccc4ccccc43)c2)c(-c2cc(-c3ccccc3-c3cnc4c(ccc5ccccc54)c3)cc(-c3ccccc3-c3cnc4c(ccc5ccccc54)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
PARP1 P09874 1/20 0.38
CCR1 P32246 4/20 0.38
CCR8 P51685 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CCR5 P51681 2/20 0.38
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22563395 0.92 KDM4E (0.38) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL19933707 0.92 ALDH1A1 (0.40) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL19933641 0.90 KDM4E (0.39) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL18015696 0.87 KDM4E (0.43) KDM4EPARP1ALDH1A1MAPTNPC1
SCHEMBL17899314 0.86 CA12 (0.50) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL19933628 0.85 ALDH1A1 (0.40) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL18015699 0.85 KDM4E (0.39) KDM4EPDGFRBPDGFRAPARP1ALDH1A1
SCHEMBL12786342 0.84 KDM4E (0.54) KDM4EPDGFRBPDGFRACA12CA9
SCHEMBL30547066 0.82 KDM4E (0.62) KDM4EPDGFRBPDGFRAPARP1ALDH1A1
SCHEMBL13019223 0.82 KDM4E (0.62) KDM4EPDGFRBPDGFRAPARP1ALDH1A1

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 KDM4E 3894/4885PDGFRB 3796/4885PDGFRA 3210/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885PDGFRB 4712/4885PDGFRA 4277/4885

“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.