SCHEMBL2000041

SCHEMBL2000041

O=C(NC(=O)c1cccnc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
LMNA P02545 2/20 0.67
THRB P10828 1/20 0.67
HIF1A Q16665 1/20 0.67
ROCK2 O75116 1/20 0.65
ROCK1 Q13464 1/20 0.65
GAA P10253 4/20 0.63
ALDH1A1 P00352 4/20 0.63
APP P05067 1/20 0.63
HCAR3 P49019 1/20 0.63
HCAR2 Q8TDS4 1/20 0.63
HTT P42858 1/20 0.63
ALPL P05186 1/20 0.63
ALPI P09923 1/20 0.63
ALPG P10696 1/20 0.63
CYP2C9 P11712 1/20 0.63
KDM4E B2RXH2 1/20 0.61
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61

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
SCHEMBL29011921 0.94 GAA (0.71) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL5793445 0.90 HDAC1 (0.67) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL9118071 0.88 HDAC1 (0.65) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL2488253 0.88 HDAC1 (0.65) HDAC1HDAC6LMNATHRBHIF1A
Nicotinyl Methylamide SCHEMBL30664356 0.88 HDAC1 (0.69) HDAC1HDAC6LMNATHRBHIF1A
Nicotinyl Methylamide SCHEMBL129458 0.88 HDAC1 (0.69) HDAC1HDAC6LMNATHRBHIF1A
Nicotinyl Methylamide SCHEMBL28560459 0.88 HDAC1 (0.69) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL5361880 0.87 HDAC1 (0.74) HDAC1HDAC6LMNATHRBHIF1A
SCHEMBL28712350 0.87 ALDH1A1 (0.66) HDAC1HDAC6LMNATHRBHIF1A
Nicotinyl Methylamide SCHEMBL9275531 0.86 HDAC1 (0.67) HDAC1HDAC6LMNATHRBHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 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-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF HDAC1 989/4885HDAC6 1107/4885LMNA 2215/4885

“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.