SCHEMBL658725

SCHEMBL658725

O=C(NNC(=O)C1=CN(CC(=O)c2ccccc2)C=CC1)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 7/20 0.40
GAA P10253 4/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 3/20 0.39
SIRT1 Q96EB6 2/20 0.39
NPC1 O15118 2/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 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
SCHEMBL287206 0.87 PTGS2 (0.47) KDM4ETDP1KMT2AGAAMEN1
SCHEMBL7805087 0.83 HDAC1 (0.40) KDM4ETDP1KMT2AGAAMEN1
SCHEMBL27854995 0.79 ALDH1A1 (0.41) KDM4ETDP1KMT2AGAAMEN1
SCHEMBL661996 0.78 CA2 (0.54) POLBCTDSP1KMT2AGAAMEN1
SCHEMBL658334 0.78 GAA (0.43) GAAALDH1A1SMN1; SMN2CA1CA2
SCHEMBL287827 0.78 ALDH1A1 (0.41) KDM4EKMT2AGAAMEN1RAB9A
SCHEMBL660917 0.78 ALDH1A1 (0.40) KDM4ETDP1KMT2AGAAMEN1
SCHEMBL659966 0.77 RAB9A (0.45) KDM4EKMT2AGAAMEN1RAB9A
SCHEMBL298933 0.76 RAB9A (0.40) POLBKDM4ETDP1KMT2AGAA
SCHEMBL661571 0.76 RAB9A (0.52) KDM4EKMT2AMEN1RAB9ANPC1

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 POLB 2267/4885CTDSP1 4815/4885KDM4E 2916/4885

“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.