SCHEMBL11949000

SCHEMBL11949000

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CHEK2 O96017 8/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.48
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL11949044 0.92 AMY1A (0.49) HPSESMN1; SMN2POLBMAPTCHEK2
SCHEMBL11949006 0.92 SMN1; SMN2 (0.51) HPSESMN1; SMN2POLBMAPTCHEK2
SCHEMBL11949038 0.90 HDAC6 (0.55) HPSESMN1; SMN2POLBMAPTCHEK2
SCHEMBL11948988 0.90 MMP2 (0.56) HPSECHEK2HDAC6MMP2MMP9
SCHEMBL11949033 0.89 PRSS12 (0.57) HPSEMAPTCHEK2HDAC6MMP2
SCHEMBL11949059 0.85 HDAC6 (0.51) HPSESMN1; SMN2POLBMAPTHDAC6
SCHEMBL11949010 0.85 SIRT2 (0.55) HPSECHEK2HDAC6MMP2MMP9
SCHEMBL11949009 0.85 MMP2 (0.52) HPSECHEK2HDAC6MMP2MMP9
SCHEMBL11949020 0.85 PRSS12 (0.61) MAPTCHEK2HDAC6
SCHEMBL11949012 0.85 MMP2 (0.64) HPSESMN1; SMN2POLBMAPTCHEK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154966-B1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2013-08-21 — — EP 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-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
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR HPSE 3619/4885SMN1; SMN2 2448/4885ALOX5 1699/4885

“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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