SCHEMBL661992

SCHEMBL661992

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 3/20 0.37
RAB9A P51151 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 3/20 0.36
HPGD P15428 4/20 0.36
GLA P06280 2/20 0.35
BRCA1 P38398 1/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL660574 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL660093 0.79 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL287219 0.79 TSHR (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL27854965 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL661245 0.78 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL287235 0.77 TSHR (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL661687 0.77 ERCC5 (0.43) ALDH1A1KMT2AMEN1TSHRRAB9A
SCHEMBL287234 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANFKB1NFKB2
SCHEMBL27871718 0.75 ERCC5 (0.43) ALDH1A1KMT2AMEN1TSHRRAB9A
SCHEMBL7799733 0.75 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR

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 4512/4885MEN1 1455/4885

“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.