SCHEMBL17345944

SCHEMBL17345944

O=P(CCN[C@@H]1CCCC[C@H]1NCc1cccs1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.42
HPGD P15428 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 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
SCHEMBL18677976 1.00 KDM1A (0.48) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18674517 1.00 KDM1A (0.48) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18677975 1.00 KDM1A (0.48) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18663232 0.80 KDM1A (0.59) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL16768640 0.76 ANPEP (0.41) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL18674509 0.76 KDM1A (0.50) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18674531 0.76 KDM1A (0.50) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18674530 0.76 KDM1A (0.50) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL17345950 0.76 KDM1A (0.50) KDM1AMAOAHPGDKMT2AMEN1
SCHEMBL18677911 0.76 KDM1A (0.50) KDM1AMAOAHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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 (2 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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN KDM1A 4774/4885MAOA 3709/4885HPGD 973/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN KDM1A 4774/4885MAOA 3709/4885HPGD 973/4885

“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.