SCHEMBL18858281

SCHEMBL18858281

c1ccc(N(c2ccccc2)c2nc(-c3cccc(-c4nccc5ccccc45)c3)nc(N(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MAPT P10636 6/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL7007825 0.84 KDM4E (0.50) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL18327498 0.83 MAPT (0.53) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL17413794 0.83 MAPT (0.53) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL18858309 0.82 MAPT (0.51) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL17945790 0.81 KDM4E (0.50) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL18327514 0.81 MAPT (0.50) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL29607745 0.80 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL17449880 0.80 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL17932557 0.80 KDM4E (0.46) KDM4EL3MBTL1NPC1RAB9AGPR55
SCHEMBL3141880 0.79 KDM4E (0.57) KDM4EL3MBTL1NPC1RAB9AGPR55

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-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 US disclosed
EP-3160976-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF KDM4E 1344/4885L3MBTL1 2268/4885NPC1 3191/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 KDM4E 3544/4885L3MBTL1 2753/4885NPC1 3855/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 KDM4E 3544/4885L3MBTL1 2753/4885NPC1 3855/4885

“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.