SCHEMBL5345588

SCHEMBL5345588

N#CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
HRH3 Q9Y5N1 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 3/20 0.47
RECQL P46063 1/20 0.46
EPHX2 P34913 1/20 0.44
ESR1 P03372 2/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
THRB P10828 2/20 0.43
THRA P10827 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5684543 0.86 ALDH1A1 (0.56) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5355290 0.86 ALDH1A1 (0.56) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5345276 0.85 HRH3 (0.48) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5345280 0.85 HRH3 (0.48) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5258765 0.85 CTSB (0.39) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5349843 0.84 HRH3 (0.50) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5256266 0.84 PDGFRB (0.47) HRH3ALDH1A1KDM4EMAPTEPHX2
SCHEMBL8298316 0.83 SMN1; SMN2 (0.54) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL14356164 0.83 SMN1; SMN2 (0.54) SMN1; SMN2GAAHRH3ALDH1A1KDM4E
SCHEMBL5350931 0.80 CTSB (0.46) SMN1; SMN2ALDH1A1CTSBCTSSCTSK

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-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US claimed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 US claimed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 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-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 SMN1; SMN2 524/4885GAA 27/4885HRH3 663/4885

“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.