SCHEMBL13451636

SCHEMBL13451636

Cc1ccc(NC(=O)Cc2cccc3ccccc23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.63
MEN1 O00255 5/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 3/20 0.63
XBP1 P17861 1/20 0.63
HTT P42858 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KDM4E B2RXH2 3/20 0.62
POLB P06746 3/20 0.60
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL10079871 0.88 ALDH1A1 (0.72) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14344582 0.87 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL14344586 0.85 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13467798 0.85 KMT2A (0.63) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13451626 0.85 PTPN1 (0.66) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1947868 0.84 ALDH1A1 (0.68) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13576511 0.82 ALDH1A1 (0.63) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL13561013 0.81 LMNA (0.60) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL2183704 0.79 WNT3A (0.67) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1233241 0.79 AKR1C3 (0.62) KMT2AMEN1LMNAALDH1A1MAPT

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-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

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 KMT2A 2923/4885MEN1 3018/4885LMNA 3931/4885
US-20100022547-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Parasitic Infections IMPDH1, IMPDH2, ITPA KMT2A 2923/4885MEN1 3018/4885LMNA 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.