SCHEMBL3314730

SCHEMBL3314730

NC(=O)CCCNCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
SAT1 P21673 1/20 0.50
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.35
TARDBP Q13148 1/20 0.35

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
SCHEMBL21235939 0.94 SAT1 (0.48) TDP1SAT1HDAC3HDAC4HDAC1
SCHEMBL3854192 0.89 TDP1 (0.52) TDP1SAT1HDAC3HDAC4HDAC1
SCHEMBL28792825 0.85 SAT1 (0.42) TDP1SAT1HDAC3HDAC4HDAC1
SCHEMBL26064326 0.78 MAOA (0.46) HDAC6MAOAMAOBKMT2A
SCHEMBL2253716 0.76 TDP1 (0.39) TDP1SAT1HDAC3HDAC4HDAC1
SCHEMBL7203886 0.76 SAT1 (0.70) TDP1SAT1HDAC3HDAC4HDAC1
SCHEMBL1380293 0.75
SCHEMBL3427400 0.75
SCHEMBL11588125 0.75 SAT1 (0.56) TDP1SAT1GNAI3GNAO1GNAI1
SCHEMBL16382266 0.75

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 US disclosed
EP-2041141-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2009-04-01 EP disclosed
WO-2008006883-A2 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2008-01-17 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD TDP1 1042/4885SAT1 3683/4885HDAC3 533/4885

“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.