SCHEMBL18015147

SCHEMBL18015147

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)n9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10cc(-c%11ccccc%11)cc(-c%11ccccc%11)c%10)n9)cn8)cc7)c6)cc5)nc4)n3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
NTSR1 P30989 1/20 0.41
NPC1 O15118 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LDHA P00338 1/20 0.41
HPGDS O60760 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP11B1 P15538 1/20 0.38

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
SCHEMBL19794502 0.98 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19794490 0.95 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21125581 0.92 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19794497 0.91 HSD17B1 (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19794525 0.90 HPGDS (0.43) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28709588 0.90 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18015617 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1370426 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327645 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18327318 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD

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 MEN1 2821/4885KMT2A 3131/4885ALDH1A1 2742/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 MEN1 1212/4885KMT2A 3024/4885ALDH1A1 2597/4885

“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.