SCHEMBL660454

SCHEMBL660454

O=C(NNS(=O)(=O)c1ccccc1)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 13/20 0.51
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 4/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL658510 0.93 POLB (0.47) KAT6AKMT2AMEN1GAAALDH1A1
SCHEMBL660141 0.90 HTT (0.53) KAT6AKMT2AMEN1GAAALDH1A1
SCHEMBL660526 0.88 KAT6A (0.35) KAT6AKMT2AMEN1GAACYP3A4
SCHEMBL298474 0.87 SMN1; SMN2 (0.40) KMT2AMEN1GAACYP3A4ALDH1A1
SCHEMBL658334 0.86 GAA (0.43) KAT6AGAAALDH1A1MAPT
SCHEMBL660129 0.86 GAA (0.46) KAT6AKMT2AMEN1GAAALDH1A1
SCHEMBL287496 0.85 KAT6A (0.44) KAT6AKMT2AMEN1GAAALDH1A1
SCHEMBL7805087 0.82 HDAC1 (0.40) KMT2AMEN1GAACYP3A4ALDH1A1
SCHEMBL287206 0.81 PTGS2 (0.47) KMT2AMEN1GAACYP3A4ALDH1A1
SCHEMBL287138 0.81 GFER (0.52) KAT6AKMT2AMEN1GAACYP3A4

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 KAT6A 1650/4885KMT2A 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.