SCHEMBL16768635

SCHEMBL16768635

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 5/20 0.44
NPSR1 Q6W5P4 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
RAB9A P51151 1/20 0.38
ALPG P10696 1/20 0.37
ALOX12 P18054 1/20 0.37
NPY1R P25929 1/20 0.37
HTT P42858 1/20 0.37
NPY2R P49146 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36

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
SCHEMBL16768640 0.79 ANPEP (0.41) NPSR1ALDH1A1MAPTKDM4EGAA
SCHEMBL22810500 0.76 NPSR1 (0.36) NPSR1SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL18674517 0.74 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL18677976 0.74 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL17345944 0.74 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL18677975 0.74 KDM1A (0.48) ALDH1A1MEN1KMT2ATSHRPOLB
SCHEMBL23783602 0.69 PSEN1 (0.41) SSTR3SMN1; SMN2ALDH1A1KDM4EPDCD1
SCHEMBL30556728 0.68 GAA (0.65) NPSR1ALDH1A1MAPTGAAMEN1
SCHEMBL282957 0.68 PSEN1 (0.52) NPSR1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL282958 0.68 PSEN1 (0.52) NPSR1SMN1; SMN2ALDH1A1MAPTKDM4E

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 SSTR3 3484/4885NPSR1 1400/4885SMN1; SMN2 2527/4885

“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.