SCHEMBL8267653

SCHEMBL8267653

CSc1nc2ccccc2n1CCCCCB(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 1/20 0.46
TLR8 Q9NR97 2/20 0.46
CXCR4 P61073 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL8268093 0.99 HTT (0.50) HTTMAPTPOLBLMNAL3MBTL1
SCHEMBL13668137 0.82 LMNA (0.57) HTTMAPTLMNATLR8CXCR4
SCHEMBL11201897 0.82 HTT (0.55) HTTMAPTPOLBLMNAL3MBTL1
SCHEMBL4944465 0.81 MAPT (0.53) HTTMAPTPOLBLMNAL3MBTL1
SCHEMBL13668138 0.81 LMNA (0.58) HTTMAPTLMNATSHRTLR8
SCHEMBL8267652 0.80 CXCR4 (0.49) HTTMAPTTSHRTLR8CXCR4
SCHEMBL8267666 0.80 LMNA (0.54) HTTMAPTLMNATSHRTLR8
SCHEMBL11707322 0.79 HTT (0.58) HTTMAPTPOLBLMNAL3MBTL1
SCHEMBL13668157 0.79 SMN1; SMN2 (0.56) MAPTPOLBLMNATSHRTLR8
SCHEMBL8268095 0.78 CXCR4 (0.50) HTTMAPTPOLBTSHRTLR8

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 5 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-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2006050053-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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A HTT 3529/4885MAPT 3106/4885POLB 3493/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 HTT 2276/4885MAPT 1468/4885POLB 4246/4885

“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.