SCHEMBL18663232

SCHEMBL18663232

c1csc(CN[C@@H]2CCCC[C@H]2NCc2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.59
HPGD P15428 3/20 0.54
MGAM O43451 1/20 0.51
SI P14410 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOA P21397 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL18677909 0.89 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL17345949 0.89 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18674516 0.89 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18677977 0.89 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL2830909 0.85 L3MBTL1 (0.58) KDM1AHPGDMGAMSIKMT2A
SCHEMBL5863472 0.84 L3MBTL1 (0.60) KDM1AHPGDKMT2APOLBMEN1
SCHEMBL18674509 0.82 KDM1A (0.50) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18674530 0.82 KDM1A (0.50) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18674531 0.82 KDM1A (0.50) KDM1AHPGDMGAMSIKMT2A
SCHEMBL17345950 0.82 KDM1A (0.50) KDM1AHPGDMGAMSIKMT2A

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-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

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 4774/4885HPGD 973/4885MGAM 2899/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN KDM1A 4774/4885HPGD 973/4885MGAM 2899/4885

“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.