SCHEMBL660547

SCHEMBL660547

COCCOC(=O)C1=CN(CC(=O)c2ccc(Cl)cc2Cl)C=CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
P2RX7 Q99572 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
PAX8 Q06710 1/20 0.36
KLF5 Q13887 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL662087 0.88 KMT2A (0.47) ALDH1A1MAPK1HIF1AKMT2ANPC1
SCHEMBL287385 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1HIF1AKMT2ANPC1
SCHEMBL660255 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1HIF1AKMT2AMEN1
SCHEMBL7808649 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1HIF1AKMT2ANPC1
SCHEMBL286985 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPK1HIF1AKMT2ANPC1
SCHEMBL660293 0.77 HPGD (0.46) ALDH1A1MAPK1KMT2ANPC1MEN1
SCHEMBL286986 0.76 MAPT (0.46) ALDH1A1MAPK1KMT2AMEN1TSHR
SCHEMBL661570 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1HIF1AKMT2AL3MBTL1
SCHEMBL661083 0.76 ALDH1A1 (0.39) ALDH1A1MAPK1HIF1AKMT2AMEN1
SCHEMBL660962 0.72 KMT2A (0.41) ALDH1A1KMT2ANPC1AGTR1MEN1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
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 676/4885MAPK1 1750/4885HIF1A 359/4885

“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.