SCHEMBL17486331

SCHEMBL17486331

CN(C)c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C(C)(C)CC4(C)C)nc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RARA P10276 3/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RARG P13631 4/20 0.34
RXRA P19793 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
NR2F2 P24468 1/20 0.33
GLA P06280 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 0.92 RARB (0.42) RARBMEN1KMT2ARARASMN1; SMN2
SCHEMBL17485981 0.89 RARB (0.36) RARBMEN1KMT2ARARARARG
SCHEMBL17486303 0.87 L3MBTL1 (0.46) RARBMEN1KMT2ARARASMN1; SMN2
SCHEMBL17486029 0.86 RARB (0.44) RARBMEN1KMT2ARARANPSR1
SCHEMBL17486332 0.85 RARB (0.37) RARBMEN1KMT2ARARARARG
SCHEMBL17486270 0.85 MEN1 (0.38) MEN1KMT2ATSHRSMN1; SMN2NPSR1
SCHEMBL17486099 0.85 MEN1 (0.34) RARBMEN1KMT2ARARATSHR
SCHEMBL17486333 0.85 RARB (0.47) RARBMEN1KMT2ARARARARG
SCHEMBL19295143 0.84 RARB (0.46) RARBMEN1KMT2ARARARARG
SCHEMBL17486339 0.81 RARB (0.35) RARBMEN1KMT2ARARARARG

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 RARB 3717/4885MEN1 989/4885KMT2A 2922/4885

“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.