SCHEMBL17486226

SCHEMBL17486226

Cc1cc(Br)cnc1-c1ccc2c(c1)C(C)(C)CC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.37
RARB P10826 6/20 0.37
RARG P13631 5/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXRA P19793 2/20 0.33
CNR2 P34972 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCC1 P33527 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL17486281 0.81 PGR (0.37) RARARARBRARG
SCHEMBL17486236 0.81 SMN1; SMN2 (0.35) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL18015415 0.78 NPC1 (0.37) RARARARBRARGALDH1A1MAPK1
SCHEMBL17486207 0.77 DGAT1 (0.38) RARARARBRARGRXRA
SCHEMBL17486077 0.77 RARA (0.38) RARARARBRARGRXRACNR2
SCHEMBL17486004 0.75 RARA (0.34) RARARARBRARGRXRAABCB1
SCHEMBL10472664 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPTMAPK1HTTSMN1; SMN2
SCHEMBL17485957 0.73 RARB (0.36) RARARARBRARGRXRAABCB1
SCHEMBL17486163 0.71 PGR (0.38) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL17486099 0.71 MEN1 (0.34) RARARARBRARGALDH1A1MAPT

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.