SCHEMBL17486156

SCHEMBL17486156

CN(c1ccccc1)c1nc(-c2ccc(-c3ccc4c(c3)OC(C)(C)O4)nc2)nc(N(C)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KIF11 P52732 1/20 0.31
PDE5A O76074 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17486113 0.86 MEN1 (0.36) S1PR1MEN1KMT2AKDM4ENPC1
SCHEMBL17486122 0.80 MEN1 (0.32) MEN1KMT2APDE5ACYP1A2CYP3A4
SCHEMBL17486332 0.79 RARB (0.37) MEN1KMT2APDE5AATRCDK2
SCHEMBL20805503 0.77 MAPT (0.30) MEN1KMT2AMAPTPDE5A
SCHEMBL17486144 0.72 MEN1 (0.32) MEN1KMT2AKDM4ENPC1POLB
SCHEMBL20805726 0.70 CCR1 (0.46) MEN1KMT2AKDM4ENPC1POLB
SCHEMBL17486105 0.70 MAPT (0.33) MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17486272 0.69 KIF11 (0.40) S1PR1KDM4ENPC1POLBMAPT
SCHEMBL22202294 0.66 KIF11 (0.48) S1PR1MEN1KMT2AKDM4ENPC1
SCHEMBL17486053 0.66 PTGS1 (0.37) MEN1KMT2ACDK2GSK3BDYRK1A

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 S1PR1 4848/4885MEN1 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.