SCHEMBL14459252

SCHEMBL14459252

O=CC=Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
MAOB P27338 3/20 0.39
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
AHR P35869 1/20 0.36
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL14459432 0.82 KMT2A (0.44) KMT2AMAPK1TDP1HTR3EHTR3B
SCHEMBL13648126 0.78 HTR3E (0.53) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL13590027 0.77 S100B (0.50) KMT2AMAPK1TDP1ALDH1A1TP53
SCHEMBL85152 0.76 MAPT (0.47) KMT2ATDP1HTR3EHTR3BHTR3A
SCHEMBL10153372 0.75 KMT2A (0.32) KMT2AMAPK1TDP1
SCHEMBL13451783 0.74 KMT2A (0.62) KMT2AMAPK1TDP1HTR3EHTR3B
SCHEMBL5518362 0.74 MAPK1 (0.57) KMT2AMAPK1TDP1HTR3EHTR3B
SCHEMBL14459257 0.73 MAPT (0.50) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL13590019 0.73 ALDH1A1 (0.37) KMT2ATDP1ALDH1A1MAPTMEN1
SCHEMBL10153371 0.71 TSHR (0.38) KMT2AHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof ASTRAZENECA AB (SE) 2007-07-12 US 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-20070161619-A1 Pyrroloquinoline and piperidoquinoline derivatives, preparation thereof, compositions containing them and uses thereof OPRL1, OPRD1, OPRK1 KMT2A 1943/4885MAPK1 3729/4885TDP1 3426/4885

“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.