SCHEMBL13041359

SCHEMBL13041359

CCC(=O)CC(=O)Nc1ccno1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 6/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
PKM P14618 2/20 0.31
HPGD P15428 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31

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
SCHEMBL26789468 0.88 TAAR1 (0.51) TAAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11777857 0.75 TAAR1 (0.57) TAAR1SMN1; SMN2GAA
SCHEMBL13798845 0.74
SCHEMBL22862335 0.74 TAAR1 (0.76) TAAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL22130289 0.72
SCHEMBL12630133 0.72 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL27824330 0.72 TAAR1 (0.53) TAAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11775196 0.72 TAAR1 (0.62) TAAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL13647285 0.72 TAAR1 (0.53) TAAR1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL669647 0.71

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 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 (7 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TAAR1 3729/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TAAR1 3729/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 TAAR1 1650/4885KMT2A 2108/4885ALDH1A1 3931/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TAAR1 3729/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 TAAR1 1650/4885KMT2A 2108/4885ALDH1A1 3931/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS TAAR1 3729/4885KMT2A 4236/4885ALDH1A1 4721/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 TAAR1 1650/4885KMT2A 2108/4885ALDH1A1 3931/4885

“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.