SCHEMBL785221

SCHEMBL785221

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)CCC3CCCC3)CC4)CC2)nc(N(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GBA1 P04062 2/20 0.36
TAF1 P21675 2/20 0.35
CECR2 Q9BXF3 2/20 0.35
BRD9 Q9H8M2 2/20 0.35
WDR5 P61964 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
POLB P06746 1/20 0.33
DRD2 P14416 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL785476 0.93 TAF1 (0.41) ALDH1A1GBA1TAF1CECR2BRD9
SCHEMBL784259 0.90 POLB (0.37) ALDH1A1GBA1WDR5TSHRPOLB
SCHEMBL784376 0.89 F10 (0.39) ALDH1A1WDR5TLR9TLR8TLR7
SCHEMBL785126 0.85 POLB (0.37) GBA1WDR5TSHRPOLBKMT2A
SCHEMBL785297 0.85 TAF1 (0.42) ALDH1A1TAF1CECR2BRD9WDR5
SCHEMBL784808 0.84 F10 (0.41) WDR5TSHRPOLBDRD2KMT2A
SCHEMBL784801 0.83 POLB (0.36) GBA1TAF1CECR2BRD9WDR5
SCHEMBL784264 0.83 POLB (0.36) ALDH1A1GBA1WDR5L3MBTL1TSHR
SCHEMBL784595 0.83 ALDH1A1 (0.38) ALDH1A1POLBDRD2KMT2A
SCHEMBL784401 0.82 POLB (0.37) ALDH1A1GBA1WDR5TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (1 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ALDH1A1 1267/4885GBA1 849/4885TAF1 2144/4885

“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.