SCHEMBL5357356

SCHEMBL5357356

O=C(O)c1ccc(NCn2cccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 2/20 0.42
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
THRB P10828 1/20 0.40
NAMPT P43490 1/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
HIF1A Q16665 1/20 0.40
CXCR4 P61073 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1854012 0.82 TSHR (0.46) HTTHDAC1HDAC6LMNAKMT2A
SCHEMBL3584847 0.76 HDAC1 (0.70) HTTHDAC1HDAC6LMNATHRB
SCHEMBL28841023 0.74 HTT (0.55) HTTHDAC1HDAC6LMNAKDM5A
SCHEMBL10612987 0.72 HDAC1 (0.52) HTTHDAC1HDAC6NAMPTKMT2A
Hydrochloric Acid SCHEMBL6954959 0.70 TBXAS1 (0.60) HTTLMNAKDM5AKDM2BKDM4C
SCHEMBL1072220 0.70 HTT (0.47) HTTHDAC1HDAC6LMNAKDM5A
SCHEMBL8187886 0.70 FDPS (0.42) HTTHDAC1HDAC6LMNATHRB
SCHEMBL20041808 0.70 STAT5B (0.64) HTTHDAC1HDAC6KDM5AKDM2B
SCHEMBL455156 0.69 HCAR3 (0.55) HTTLMNATHRBKMT2ATSHR
SCHEMBL20882094 0.68 TSHR (0.57) KMT2ATSHRMEN1SMN1; SMN2

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 disclosed
CN-1798729-A Benzamide nitrile derivatives HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 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 HTT 2129/4885HDAC1 45/4885HDAC6 103/4885

“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.