SCHEMBL11949044

SCHEMBL11949044

CCN(CC)c1cc2[nH]c(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CHEK2 O96017 7/20 0.48
▸ HPSE Q9Y251 6/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.45
▸ ABCB1 P08183 1/20 0.45

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
SCHEMBL11949000 0.92 HPSE (0.53) CHEK2HPSEHDAC6POLBMAPT
SCHEMBL11949006 0.91 SMN1; SMN2 (0.51) CHEK2HPSEHDAC6POLBMAPT
SCHEMBL11949039 0.90 NR4A2 (0.55) CHEK2HDAC6NR4A2
SCHEMBL11949038 0.90 HDAC6 (0.55) CHEK2HPSEHDAC6POLBMAPT
SCHEMBL11949041 0.89 PRSS12 (0.56) CHEK2HDAC6MAPTSMN1; SMN2NR4A2
SCHEMBL11949029 0.89 PRSS12 (0.56) CHEK2HDAC6MAPTSMN1; SMN2NR4A2
SCHEMBL11949045 0.86 BRPF1 (0.55) AMY1ACYP2C19CHEK2POLBMAPT
SCHEMBL11949059 0.86 HDAC6 (0.51) HPSEHDAC6POLBMAPTSMN1; SMN2
SCHEMBL11949009 0.86 MMP2 (0.52) CHEK2HPSEHDAC6NR4A2
SCHEMBL11949042 0.85 HDAC6 (0.53) CHEK2HPSEHDAC6NR4A2

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-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR AMY1A 2992/4885CYP1A2 1741/4885CYP3A4 823/4885

“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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