SCHEMBL19794356

SCHEMBL19794356

Cc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(B2OC(C)(C)C(C)(C)O2)cc(-c2ccccc2-c2ccc(-c3ccccn3)cc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.39
LIPG Q9Y5X9 5/20 0.39
PDK2 Q15119 1/20 0.39
DGAT1 O75907 1/20 0.36
WNT3A P56704 2/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
NPC1 O15118 3/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL19833341 0.89 LIPG (0.45) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL18015286 0.88 LPL (0.44) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL29771558 0.88 LPL (0.44) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL29327579 0.86 LPL (0.40) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL19933716 0.85 LPL (0.41) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL19544227 0.83 LPL (0.47) LPLLIPGDGAT1PDGFRBKDR
SCHEMBL19106491 0.81 LIPG (0.51) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL20696470 0.81 DGAT1 (0.43) LPLLIPGPDK2DGAT1PDGFRB
SCHEMBL18015380 0.81 PDK2 (0.45) PDK2WNT3ANPC1PKMRAB9A
SCHEMBL20696492 0.81 DGAT1 (0.47) LPLLIPGPDK2DGAT1WNT3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
US-20210111345-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2021-04-15 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 (4 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 LPL 4682/4885LIPG 4459/4885PDK2 3655/4885
US-20210111345-A1 METAL COMPLEXES NCLN, BICRA, AP3M1 LPL 3716/4885LIPG 3983/4885PDK2 2960/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LPL 3416/4885LIPG 3693/4885PDK2 2111/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 LPL 3716/4885LIPG 3983/4885PDK2 2960/4885

“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.