SCHEMBL660872

SCHEMBL660872

NNC(=O)CN1C=CCC(C(=O)NN)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PKM P14618 1/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.32
MMP2 P08253 1/20 0.31
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 0.30
ALPI P09923 1/20 0.30
MAPT P10636 1/20 0.30
ALPG P10696 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
CASP6 P55212 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL658611 0.87 CA12 (0.32) KDM4EALDH1A1KMT2ALMNAMAPT
SCHEMBL660868 0.69 LMNA (0.33) KDM4EALDH1A1GAAKMT2ALMNA
SCHEMBL660292 0.69 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1KMT2ALMNA
SCHEMBL287385 0.65 ALDH1A1 (0.46) KDM4ENPC1ALDH1A1KMT2APOLB
SCHEMBL444311 0.62 LDHA (0.36) LMNAHTT
SCHEMBL8738193 0.60 GSK3A (0.46) KDM4ENPC1ALDH1A1PKMGAA
SCHEMBL2205423 0.59 ADRA1D (0.41) GAAKMT2A
SCHEMBL13178492 0.59 ALDH1A1 (0.33) KDM4ENPC1ALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL11002235 0.58 ALDH1A1 (0.33) KDM4ENPC1ALDH1A1PKMGAA
SCHEMBL13687323 0.58 MAPT (0.48) KDM4EALDH1A1GAAKMT2APOLB

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 KDM4E 2916/4885NPC1 1176/4885ALDH1A1 676/4885

“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.