SCHEMBL11948990

SCHEMBL11948990

CCCCOC(=O)Nc1cc2nc(-c3ccc(C)cc3)[nH]c2cc1N(CC)CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.48
▸ HPSE Q9Y251 2/20 0.48
▸ EGFR P00533 1/20 0.47
▸ CHEK2 O96017 2/20 0.45
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP8 P22894 2/20 0.44
▸ MMP13 P45452 2/20 0.44
▸ SIRT2 Q8IXJ6 3/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 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
SCHEMBL3097365 0.91 SMN1; SMN2 (0.46) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11949002 0.90 HDAC6 (0.48) ACHEHPSECHEK2SIRT2SIRT1
SCHEMBL11949011 0.88 HPSE (0.54) ACHEHPSEEGFRCHEK2MMP2
SCHEMBL11948995 0.88 HPSE (0.46) ACHEHPSEEGFRCHEK2MMP2
SCHEMBL11949013 0.86 HPSE (0.47) ACHEHPSEEGFRCHEK2MMP2
SCHEMBL11949027 0.85 NR4A2 (0.46) HPSECHEK2SIRT2SIRT1TUBB4A
SCHEMBL11948994 0.85 EGFR (0.52) HPSEEGFRCHEK2MMP2MMP9
SCHEMBL3103864 0.85 TUBB4A (0.45) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11949001 0.85 MMP2 (0.52) ACHEHPSEEGFRCHEK2MMP2
SCHEMBL14046892 0.85 TUBB4A (0.42) EGFRTUBB4ATUBBTUBA3CTUBA1B

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 5 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
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 ACHE 2457/4885HPSE 3619/4885EGFR 4747/4885

“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.

Send feedback