SCHEMBL17486116

SCHEMBL17486116

Cc1cc(-c2ccccc2)nc(-c2ccc(-c3ccc4c(c3)C3(C)CCC4(C)O3)nc2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
DHODH Q02127 1/20 0.33
NTSR1 P30989 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL19295154 0.93 MEN1 (0.38) LMNARARARARBMAPTHPGD
SCHEMBL16812192 0.84 HSD17B1 (0.41) RARARARBDHODH
SCHEMBL17486297 0.81 LMNA (0.38) LMNAMAPTHPGDKDM4EMEN1
SCHEMBL17486347 0.80 SLC6A9 (0.35) LMNAMAPTHPGDKDM4ETP53
SCHEMBL19300460 0.77 MTOR (0.34) LMNARARARARBMAPTHPGD
SCHEMBL17486029 0.75 RARB (0.44) LMNARARARARBMAPTHPGD
SCHEMBL17486341 0.73 MEN1 (0.39) LMNAMAPTHPGDKDM4ESMN1; SMN2
SCHEMBL17486300 0.73 MEN1 (0.42) LMNAMAPTHPGDKDM4ETSHR
SCHEMBL17486273 0.73 NPC1 (0.38) SMN1; SMN2ALDH1A1
SCHEMBL20805691 0.73 PDK2 (0.42) LMNARARARARBMAPTKDM4E

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 LMNA 4436/4885RARA 3284/4885RARB 3717/4885

“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.