SCHEMBL17486296

SCHEMBL17486296

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.38
RARB P10826 9/20 0.38
RARG P13631 10/20 0.37
RXRA P19793 4/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
BACE1 P56817 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR2F2 P24468 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL17486303 0.91 L3MBTL1 (0.46) RARARARBRARGRXRAHSD17B1
SCHEMBL17486299 0.85 RARB (0.37) RARARARBRARGRXRAHSD17B1
SCHEMBL17486329 0.85 RARB (0.42) RARARARBRARGRXRAHSD17B1
SCHEMBL17486029 0.84 RARB (0.44) RARARARBRARGRXRAHSD17B1
SCHEMBL17486298 0.83 RARA (0.36) RARARARBRARGRXRAHSD17B1
SCHEMBL17485986 0.83 RARA (0.36) RARARARBRARGRXRAHSD17B1
SCHEMBL17486034 0.82 HSD17B1 (0.36) RARGHSD17B1HSD17B2BACE1L3MBTL1
SCHEMBL17486338 0.82 NPC1 (0.39) RARARARBRARGRXRAL3MBTL1
SCHEMBL18015622 0.81 KDM1A (0.38) RARARARBRARGRXRABACE1
SCHEMBL17486333 0.81 RARB (0.47) RARARARBRARGRXRAHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
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 RARA 3284/4885RARB 3717/4885RARG 3452/4885

“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.