SCHEMBL4331304

SCHEMBL4331304

CCOC(=O)CCCCCN1C(=O)CSc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPY5R Q15761 1/20 0.41
KAT2B Q92831 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B3 P37058 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
TNF P01375 1/20 0.37

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
SCHEMBL10650837 0.85 NPSR1 (0.70) NPSR1LMNAHTTUSP2ALDH1A1
SCHEMBL8229312 0.83 CNR2 (0.44) LMNAALDH1A1NPY5RHSD17B3MEN1
SCHEMBL4326972 0.82 HDAC1 (0.54)
SCHEMBL8229340 0.81 NPY5R (0.42) NPSR1LMNAHTTUSP2GAA
SCHEMBL8006581 0.78 NPY5R (0.41) NPSR1LMNAHTTALDH1A1NPY5R
SCHEMBL4329026 0.78 NPY5R (0.40) LMNAGAANPY5RSMN1; SMN2HSD17B3
SCHEMBL10651949 0.76 LMNA (0.79) NPSR1LMNAHTTUSP2ALDH1A1
SCHEMBL13111741 0.75 LMNA (0.48) NPSR1LMNAUSP2ALDH1A1NPY5R
SCHEMBL10650760 0.75 LMNA (0.55) NPSR1LMNAHTTUSP2ALDH1A1
SCHEMBL9845834 0.74 NPSR1 (0.53) NPSR1LMNAUSP2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US disclosed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO disclosed
WO-2006050054-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO disclosed
WO-2006050054-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 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 (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-20080269204-A1 Compounds and Methods of Use Thereof TNF, LITAF, TNFRSF1A NPSR1 985/4885LMNA 574/4885HTT 2680/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 NPSR1 2000/4885LMNA 1527/4885HTT 2276/4885

“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.