SCHEMBL10025510

SCHEMBL10025510

CC(C)(C)OCCCNC1CCN(C(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ EPHX1 P07099 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ DRD4 P21917 3/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL13541818 0.84 DRD4 (0.47) MEN1KMT2AEPHX1KDM4EDRD4
SCHEMBL12655781 0.81 EPHX1 (0.58) MEN1KMT2AEPHX1KDM4EDRD4
SCHEMBL10025507 0.76 BCHE (0.59) ACHE
SCHEMBL10025511 0.76 MEN1 (0.46) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL7939466 0.75 NAMPT (0.61) MEN1KMT2AEPHX1NAMPTACHE
SCHEMBL2610266 0.75 NAMPT (0.61) MEN1KMT2AEPHX1NAMPTACHE
Hydrochloric Acid SCHEMBL6276059 0.74 EPHX1 (0.61) MEN1KMT2AEPHX1KDM4EDRD4
SCHEMBL27860347 0.74 EPHX1 (0.57) MEN1KMT2AEPHX1KDM4EDRD4
SCHEMBL27860369 0.74 EPHX1 (0.57) MEN1KMT2AEPHX1KDM4EDRD4
SCHEMBL7881494 0.74 EPHX1 (0.63) MEN1KMT2AEPHX1KDM4EACHE

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 — — US disclosed
US-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 — — US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 — — US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 — — 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L MEN1 1264/4885KMT2A 2381/4885EPHX1 1610/4885

“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.

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