SCHEMBL17486303

SCHEMBL17486303

Cc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
RARB P10826 5/20 0.39
RARA P10276 4/20 0.39
RARG P13631 5/20 0.37
RXRA P19793 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NR2F2 P24468 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NPC1 O15118 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL17486329 0.95 RARB (0.42) L3MBTL1RARBRARARARGRXRA
SCHEMBL17486296 0.91 RARA (0.38) L3MBTL1RARBRARARARGRXRA
SCHEMBL17486029 0.89 RARB (0.44) L3MBTL1RARBRARARARGRXRA
SCHEMBL17486333 0.88 RARB (0.47) RARBRARARARGRXRAMEN1
SCHEMBL17486331 0.87 RARB (0.37) L3MBTL1RARBRARARARGRXRA
SCHEMBL19295143 0.87 RARB (0.46) RARBRARARARGRXRAMEN1
SCHEMBL17485981 0.85 RARB (0.36) RARBRARARARGRXRAMEN1
SCHEMBL17486178 0.84 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL17486339 0.83 RARB (0.35) RARBRARARARGRXRAMEN1
SCHEMBL17486058 0.82 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1MAPT

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-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (1 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 L3MBTL1 3160/4885RARB 3717/4885RARA 3284/4885

“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.