SCHEMBL5656407

SCHEMBL5656407

COc1ccc(C(=O)N2CCC=CN2C(=O)CC(CC2CCCC2)N(O)C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 4/20 0.38
POLB P06746 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 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
SCHEMBL5659385 0.89 CTSS (0.34) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL5658113 0.88 DPP4 (0.32) POLBALDH1A1KDM4EGAA
SCHEMBL5659365 0.87 RECQL (0.34) ALDH1A1PDE4BKDM4EMAPTRECQL
SCHEMBL5656723 0.86 GRM3 (0.42) GRM3POLBALDH1A1SMN1; SMN2HPGD
SCHEMBL5658025 0.86 MEN1 (0.34) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL5658863 0.84 ALDH1A1 (0.35) POLBALDH1A1MEN1KMT2A
SCHEMBL5658076 0.83
SCHEMBL5658281 0.79 ALDH1A1 (0.42) POLBALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL5658745 0.79
SCHEMBL5659018 0.79 ALDH1A1 (0.36) POLBALDH1A1HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192953-B2 Antibacterial agents VERNALIS (OXFORD) LIMITED (GB) 2007-03-20 US disclosed
US-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine VERNALIS (OXFORD) LIMITED (GB) 2006-06-15 US disclosed
EP-1567504-A1 ANTIBACTERIAL AGENTS Vernalis (Oxford) Ltd (GB) 2005-08-31 EP disclosed
WO-2004050638-A1 ANTIBACTERIAL AGENTS VERNALIS (OXFORD) LTD. (GB) 2004-06-17 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-20060128811-A1 Hydroxamic acid- and N-formyl hydroxylamine hydrazide derivatives; veterinary medicine HRH2, HCAR3, HCAR2 GRM3 970/4885POLB 3054/4885ALDH1A1 802/4885

“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.