SCHEMBL453426

SCHEMBL453426

COC(=O)c1cc(CN(Cc2ccccn2)Cc2ccccn2)cc(CN(Cc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LIN28A Q9H9Z2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
STS P08842 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL19878024 0.88 KDM4E (0.56) MAPTSMN1; SMN2LIN28ATDP1PKM
SCHEMBL469430 0.85 APP (0.52) APPMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL453317 0.83 APP (0.56) APPMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL19889041 0.83 MAPK1 (0.48) MAPTSMN1; SMN2LIN28ATDP1PKM
SCHEMBL19889338 0.83 KDM4E (0.48) MAPTSMN1; SMN2LIN28ATDP1PKM
SCHEMBL17914090 0.83 PKM (0.43) APPMAPTSMN1; SMN2PKMALDH1A1
SCHEMBL17285718 0.80 KDM4E (0.42) MAPTPKMALDH1A1KDM4EHPGD
SCHEMBL15810346 0.79 MAPT (0.53) APPMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL17285715 0.79 KDM5B (0.46) SMN1; SMN2TDP1ALDH1A1HPGDHSD17B10
SCHEMBL29575263 0.77 ALDH1A1 (0.52) MAPTSMN1; SMN2LIN28ATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9377466-B2 Compounds and methods MODPRO AB (SE) 2016-06-28 US disclosed
US-20130261013-A1 Compounds and Methods MODPRO AB (SE) 2013-10-03 US disclosed
EP-2613796-A2 COMPOUNDS AND METHODS Modpro AB (SE) 2013-07-17 EP disclosed
WO-2012032068-A2 COMPOUNDS AND METHODS MODPRO AB (SE) 2012-03-15 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-20130261013-A1 Compounds and Methods NOS2, NOS1, NOS3 APP 1544/4885MAPT 2920/4885SMN1; SMN2 3681/4885

“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.