SCHEMBL13451637

SCHEMBL13451637

Cc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.67
NLRP3 Q96P20 2/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK8 P45983 1/20 0.62
GSK3A P49840 1/20 0.62
MAPK10 P53779 1/20 0.62
HIPK1 Q86Z02 1/20 0.62
RIOK2 Q9BVS4 1/20 0.62
SNRK Q9NRH2 1/20 0.62
EPHX2 P34913 1/20 0.60
P2RY14 Q15391 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
GAA P10253 1/20 0.60
HDAC3 O15379 1/20 0.58

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
SCHEMBL13451638 0.88 NR1H4 (0.74) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL9367263 0.88 NR1H4 (0.83) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL13533414 0.87 NR1H4 (0.76) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL2038480 0.86 L3MBTL1 (0.76) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL14344626 0.86 MEN1 (0.76) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL12359455 0.86 NR1H4 (0.56) NR1H4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28869815 0.85 NR1H4 (0.79) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL28869814 0.85 NR1H4 (0.73) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL28869822 0.83 RAB9A (0.71) NR1H4L3MBTL1NLRP3MEN1KMT2A
SCHEMBL16542117 0.82 SMN1; SMN2 (0.83) NLRP3MEN1KMT2AEPHX2P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2012-10-18 US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 US disclosed
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections BRANDEIS UNIVERSITY (US) 2010-01-28 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 (2 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-20120264760-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA NR1H4 835/4885L3MBTL1 2751/4885NLRP3 1067/4885
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA NR1H4 835/4885L3MBTL1 2751/4885NLRP3 1067/4885

“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.