SCHEMBL7114656

SCHEMBL7114656

Cn1c(CCc2ccc(C#N)cc2)nc2cc(N(Cc3ccc(C(C)(C)C)cc3)C(=O)CCl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
PTGS1 P23219 1/20 0.40
HDAC10 Q969S8 1/20 0.40
CCR9 P51686 1/20 0.39
F2 P00734 2/20 0.39
ITK Q08881 7/20 0.36
AURKA O14965 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PRKCG P05129 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 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
SCHEMBL7123442 0.83 HDAC1 (0.46) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL7115169 0.83 F2 (0.42) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL7116170 0.79 KCNH2 (0.37) HDAC1F2ITKAURKAMAP4K4
SCHEMBL7457673 0.77 F2 (0.42) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL7115133 0.77 ITK (0.47) HDAC1HDAC8HDAC3HDAC4HDAC2
SCHEMBL7436191 0.75 F2 (0.44) HDAC1HDAC8HDAC6F2ITK
SCHEMBL7113060 0.74 RAB9A (0.48) ITKCSNK1A1CSNK1DGSK3BCSNK1G2
SCHEMBL7244672 0.73 F2 (0.47) HDAC1HDAC8HDAC6F2ITK
SCHEMBL7249869 0.73 F2 (0.49) HDAC1HDAC8HDAC6F2ITK
SCHEMBL7247840 0.73 NSD2 (0.52) HDAC1HDAC8HDAC6F2ITK

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US disclosed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 HDAC1 240/4885HDAC8 390/4885HDAC3 223/4885

“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.