SCHEMBL660574

SCHEMBL660574

CN(C)CCOC(=O)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 2/20 0.35
GLA P06280 1/20 0.35
BRCA1 P38398 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PHLPP2 Q6ZVD8 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL661992 0.86 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAHPGDNFKB1
SCHEMBL27854965 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL660093 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL661245 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL661687 0.77 ERCC5 (0.43) ALDH1A1KMT2ALMNAMEN1TSHR
SCHEMBL27854997 0.76 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL287234 0.76 ALDH1A1 (0.47) ALDH1A1LMNAHPGDNFKB1NFKB2
SCHEMBL7799733 0.75 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL7808911 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL660111 0.75 RAB9A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1

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
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885KMT2A 4512/4885LMNA 123/4885

“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.