SCHEMBL16768639

SCHEMBL16768639

N[C@@H]1CCCC[C@H]1NCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALDH1A1 P00352 2/20 0.34
ANPEP P15144 1/20 0.34
ERAP2 Q6P179 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3B P49841 1/20 0.33
KAT2B Q92831 1/20 0.33
SYK P43405 5/20 0.32
SSTR3 P32745 1/20 0.31
CHRM3 P20309 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CCND1 P24385 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
SCHEMBL22810501 1.00 KDM1A (0.35) KDM1AMAOAMAOBALDH1A1ANPEP
SCHEMBL16768617 0.75 KDM1A (0.32) KDM1AMAOAMAOBALDH1A1KDM4E
SCHEMBL17345950 0.74 KDM1A (0.50) KDM1AMAOAALDH1A1
SCHEMBL18674530 0.74 KDM1A (0.50) KDM1AMAOAALDH1A1
SCHEMBL6685748 0.72 KDM1A (0.50) KDM1AMAOAMAOBSSTR3CDK1
SCHEMBL8038053 0.72 KDM1A (0.50) KDM1AMAOAMAOBSSTR3CDK1
SCHEMBL11562884 0.72 KDM1A (0.50) KDM1AMAOAMAOBSSTR3CDK1
SCHEMBL12339369 0.72 ANPEP (0.48) ANPEPERAP2PIM1
SCHEMBL14970025 0.72 ANPEP (0.48) ANPEPERAP2PIM1
SCHEMBL12339368 0.72 ANPEP (0.48) ANPEPERAP2PIM1

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-9597673-B2 Iron catalysts with unsymmetrical PNN'P ligands THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-03-21 US disclosed
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
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.