SCHEMBL7805087

SCHEMBL7805087

CNNC(=O)C1=CN(CC(=O)c2ccccc2)C=CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CES1 P23141 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 3/20 0.34
MGAM O43451 2/20 0.34
AMY1A P0DUB6 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34

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
SCHEMBL298474 0.92 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL287206 0.86 PTGS2 (0.47) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL660526 0.86 KAT6A (0.35) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL660154 0.86 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL27854995 0.83 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL660454 0.82 KAT6A (0.51) KMT2AMEN1CYP3A4MAPTALDH1A1
SCHEMBL658507 0.82 TSHR (0.42) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL660917 0.81 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL7806353 0.81 ERCC5 (0.37) KMT2AMEN1SMN1; SMN2KDM4ECYP3A4
SCHEMBL659966 0.81 RAB9A (0.45) KMT2AMEN1SMN1; SMN2KDM4EMAPK1

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 disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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 HDAC1 2491/4885HDAC6 2786/4885KMT2A 4512/4885

“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.