SCHEMBL16768617

SCHEMBL16768617

C(\CP(c1ccccc1)c1ccccc1)=N/C1CCCCC1NCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL13293309 0.82 L3MBTL1 (0.41)
SCHEMBL16768639 0.75 KDM1A (0.35) KDM1AMAOAMAOBKDM4EALDH1A1
SCHEMBL22810501 0.75 KDM1A (0.35) KDM1AMAOAMAOBKDM4EALDH1A1
SCHEMBL17345950 0.68 KDM1A (0.50) KDM1AMAOAALDH1A1
SCHEMBL18674530 0.68 KDM1A (0.50) KDM1AMAOAALDH1A1
SCHEMBL11199269 0.66 ALDH1A1 (0.38) KDM1AMAOAMAOBKDM4EALDH1A1
SCHEMBL22922972 0.61 EPHX2 (0.43) ALDH1A1
SCHEMBL29979370 0.61 EPHX2 (0.43) ALDH1A1
SCHEMBL951191 0.61 SIGMAR1 (0.39) MAOAMAPT
SCHEMBL24571015 0.60 GRIN1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
US-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS GOVERING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-06-04 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-20150151289-A1 IRON CATALYSTS WITH UNSYMMETRICAL PNN'P LIGANDS PNN, NCL, IDH2 KDM1A 4079/4885MAOA 734/4885MAOB 694/4885

“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.