SCHEMBL18674516

SCHEMBL18674516

NC1CCCC[C@H]1NCc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.52
HPGD P15428 2/20 0.48
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL18677977 1.00 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18677909 1.00 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL17345949 1.00 KDM1A (0.52) KDM1AHPGDMGAMSIKMT2A
SCHEMBL18663232 0.89 KDM1A (0.59) KDM1AHPGDMGAMSIKMT2A
SCHEMBL2830909 0.78 L3MBTL1 (0.58) KDM1AHPGDMGAMSIKMT2A
SCHEMBL5863472 0.77 L3MBTL1 (0.60) KDM1AHPGDKMT2AMEN1POLB
SCHEMBL9457203 0.77 CYP3A4 (0.52) HPGDKMT2AMEN1POLBTSHR
SCHEMBL9457200 0.77 CYP3A4 (0.52) HPGDKMT2AMEN1POLBTSHR
SCHEMBL2719923 0.74 KDM1A (0.54) KDM1AHPGDMGAMSIKMT2A
SCHEMBL8038053 0.73 KDM1A (0.50) KDM1AHPGDKMT2AMEN1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170088571-A1 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.