SCHEMBL5098447

SCHEMBL5098447

CC(C)NCCOCc1cnc(-c2ccc(C(=O)Nc3ccccc3NC(=O)O)cc2)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.53
KCNH2 Q12809 4/20 0.53
TRPV1 Q8NER1 1/20 0.37
MCHR1 Q99705 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2074827 0.92 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL5110889 0.91 HDAC1 (0.53) HDAC1KCNH2TRPV1LMNACYP1A2
SCHEMBL12772662 0.91 HDAC1 (0.49) HDAC1KCNH2TRPV1
SCHEMBL5106201 0.89 HDAC1 (0.53) HDAC1KCNH2TRPV1LMNACYP1A2
SCHEMBL2076346 0.89 HDAC1 (0.47) HDAC1KCNH2TRPV1LMNACYP1A2
SCHEMBL2077508 0.82 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL5797598 0.82 HDAC1 (0.60) HDAC1KCNH2TRPV1
SCHEMBL12772660 0.81 HDAC1 (0.49) HDAC1KCNH2TRPV1LMNACYP1A2
SCHEMBL2075893 0.81 HDAC1 (0.64) HDAC1KCNH2
SCHEMBL15480525 0.80 HDAC1 (0.68) HDAC1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 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-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 HDAC1 1/4885KCNH2 1027/4885TRPV1 1257/4885

“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.