SCHEMBL9963652

SCHEMBL9963652

Cc1c2nc(NCC(=O)Nc3ccccc3)sc2cc2sc(NCC(=O)N3CCN(C4CCCC4)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
GRIN2B Q13224 1/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.38
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 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
SCHEMBL9963511 0.91 ACHE (0.42) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963580 0.89 ACHE (0.45) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963524 0.88 ALDH1A1 (0.49) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963550 0.88 ACHE (0.42) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963522 0.87 ACHE (0.44) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963585 0.86 BCHE (0.45) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963532 0.86 ALDH1A1 (0.46) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963557 0.85 NPC1 (0.46) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963619 0.85 HPGD (0.42) ACHEBCHEGRIN2BALDH1A1KDM4E
SCHEMBL9963629 0.85 ACHE (0.42) ACHEBCHEGRIN2BALDH1A1KDM4E

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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 (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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ACHE 1479/4885BCHE 3319/4885GRIN2B 4012/4885

“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.