SCHEMBL10025511

SCHEMBL10025511

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ HPGD P15428 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ CCR6 P51684 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ ADRB3 P13945 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL13541819 0.84 CYP3A4 (0.53) MEN1KMT2AHPGDALDH1A1CCR6
SCHEMBL10025507 0.76 BCHE (0.59) —
SCHEMBL10025510 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL1713979 0.74 MEN1 (0.56) MEN1KMT2AALDH1A1CCR6PKM
SCHEMBL20993837 0.73 MEN1 (0.59) MEN1KMT2AHPGDALDH1A1CCR6
SCHEMBL10025523 0.73 SLC6A2 (0.58) MEN1KMT2A
SCHEMBL6980419 0.71 KMT2A (0.55) MEN1KMT2AALDH1A1CCR6PKM
SCHEMBL10025522 0.70 KDM4E (0.45) CYP2C19L3MBTL1
SCHEMBL26000038 0.70 HPGD (0.52) MEN1KMT2AHPGDALDH1A1CCR6
SCHEMBL12424422 0.70 MEN1 (0.49) MEN1KMT2AALDH1A1HDAC3HDAC4

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 2381/4885HPGD 2883/4885

“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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