SCHEMBL4329026

SCHEMBL4329026

O=C1CSc2cc(Cl)ccc2N1CCCCCB(O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.40
HSD17B3 P37058 1/20 0.38
TSHR P16473 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL8229340 0.86 NPY5R (0.42) NPY5RHSD17B3TSHRCHRM1LMNA
SCHEMBL8228878 0.86 HSD17B3 (0.39) HSD17B3LMNAMAPTMEN1KMT2A
SCHEMBL8267925 0.86 SIGMAR1 (0.45) HSD17B3TSHRCHRM1LMNAMAPT
SCHEMBL8229312 0.84 CNR2 (0.44) NPY5RHSD17B3LMNAMEN1KMT2A
SCHEMBL13668171 0.83 LMNA (0.57) HSD17B3LMNAMAPTMEN1KMT2A
SCHEMBL4327026 0.83 NPSR1 (0.49) TSHRCHRM1LMNASIGMAR1
SCHEMBL8006581 0.81 NPY5R (0.41) NPY5RHSD17B3TSHRCHRM1LMNA
SCHEMBL4326972 0.81 HDAC1 (0.54)
SCHEMBL4331304 0.78 NPSR1 (0.51) NPY5RHSD17B3TSHRLMNAMAPT
SCHEMBL30808640 0.78 KMO (0.55) NPY5RHSD17B3TSHRLMNAMAPT

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 13 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 claimed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 US claimed
WO-2007134169-A9 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA LLC (US) 2008-07-24 WO claimed
WO-2006050054-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO claimed
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 NPY5R 2155/4885HSD17B3 2562/4885TSHR 3277/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 NPY5R 2140/4885HSD17B3 2824/4885TSHR 2514/4885

“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.