SCHEMBL4882767

SCHEMBL4882767

O=C(NCC1CCCCC1)c1cn[nH]c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.56
ROCK1 Q13464 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
HDAC6 Q9UBN7 3/20 0.52
MLYCD O95822 1/20 0.52
MMP13 P45452 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA2 P00918 1/20 0.51
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4552782 0.95 ROCK2 (0.51) ROCK2ROCK1TDP1HDAC6MLYCD
SCHEMBL4553284 0.92 ROCK2 (0.50) ROCK2ROCK1TDP1MMP13
SCHEMBL14425153 0.87 SMYD3 (0.49) ROCK2ROCK1
SCHEMBL13373545 0.85 EGLN1 (0.47) ROCK2ROCK1
SCHEMBL10722498 0.79 HDAC6 (0.77) TDP1HDAC6MLYCDMMP13MEN1
SCHEMBL2917118 0.79 TDP1 (0.68) TDP1HDAC6MLYCDMMP13MEN1
SCHEMBL5083134 0.78 HDAC6 (0.55) ROCK2TDP1HDAC6MLYCDMMP13
SCHEMBL5525010 0.78 ACACB (0.48) ROCK2ROCK1
SCHEMBL5525008 0.78 ACACB (0.48) ROCK2ROCK1
SCHEMBL30635470 0.76 HDAC6 (0.52) ROCK2TDP1HDAC6MLYCDMMP13

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885TDP1 3631/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ROCK2 4342/4885ROCK1 4527/4885TDP1 3631/4885

“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.