SCHEMBL659963

SCHEMBL659963

O=C(CCC1CCCCC1)NNC(=O)C1=CN(CC(=O)Nc2ccccc2)C=CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 1/20 0.46
EPHX2 P34913 1/20 0.45
LDLR P01130 2/20 0.43
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL287827 0.80 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL287496 0.75 KAT6A (0.44) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL4069437 0.75 EPHX2 (0.71) KLK7KMT2AMEN1POLBEPHX2
SCHEMBL29086702 0.75 EPHX2 (0.71) KLK7KMT2AMEN1POLBEPHX2
SCHEMBL286819 0.74 MAPT (0.43) KMT2AMEN1POLBEPHX2ALDH1A1
SCHEMBL660292 0.74 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL29086653 0.73 KLK7 (0.72) KLK7KMT2AMEN1EPHX2LDLR
SCHEMBL658725 0.71 POLB (0.46) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL658736 0.71 NPSR1 (0.46) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL287729 0.70 NPSR1 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2

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 KLK7 4340/4885KMT2A 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.