SCHEMBL469430

SCHEMBL469430

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 2/20 0.45
SYK P43405 6/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ESR1 P03372 1/20 0.42
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL453317 0.87 APP (0.56) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL453426 0.85 APP (0.49) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL19889343 0.82 MAPT (0.46) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL7079761 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL16034589 0.80 APP (0.73) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL14093383 0.80 TDP1 (0.58) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL13016959 0.79 TDP1 (0.59) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL13016958 0.78 MAPT (0.63) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL20876156 0.77 SMN1; SMN2 (0.50) APPSMN1; SMN2MAPTLIN28ATDP1
SCHEMBL6482287 0.77 SYK (0.47) SMN1; SMN2MAPTNPC1RAB9ATSHR

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 5 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-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
US-20130261013-A1 Compounds and Methods MODPRO AB (SE) 2013-10-03 US 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 1544/4885SMN1; SMN2 3681/4885MAPT 2920/4885

“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.