SCHEMBL6480997

SCHEMBL6480997

CCOCCCn1c(CCc2ccc(C#N)cc2)nc2cc(C(=O)NN3CCN(CCc4ccccc4)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.50
HDAC8 Q9BY41 2/20 0.50
ITK Q08881 7/20 0.46
KCNH2 Q12809 1/20 0.44
ADORA2A P29274 3/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
PLK1 P53350 1/20 0.42

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
Hydrochloric Acid SCHEMBL6476684 0.89 HDAC1 (0.50) HDAC1HDAC8PLK1
Hydrochloric Acid SCHEMBL6475673 0.79 HDAC1 (0.46) HDAC1HDAC8PLK1
Hydrochloric Acid SCHEMBL6475502 0.79 HDAC1 (0.46) HDAC1HDAC8PLK1
Hydrochloric Acid SCHEMBL6475557 0.77 HDAC1 (0.46) HDAC1HDAC8PLK1
SCHEMBL6980052 0.77 F2 (0.50) HDAC1HDAC8ITKBRD4CREBBP
SCHEMBL6475825 0.76 OPRM1 (0.49) HDAC1HDAC8
SCHEMBL6475822 0.76 OPRM1 (0.49) HDAC1HDAC8
Hydrochloric Acid SCHEMBL6475787 0.75 HDAC1 (0.44) HDAC1HDAC8PLK1
SCHEMBL6480918 0.75 POLB (0.43) HDAC1ITKKCNH2
SCHEMBL6984235 0.73 CNR2 (0.50) HDAC1HDAC8ITKKCNH2BRD4

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-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 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-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 HDAC1 118/4885HDAC8 689/4885ITK 2871/4885

“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.