SCHEMBL11948995

SCHEMBL11948995

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 3/20 0.46
▸ EGFR P00533 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ CHEK2 O96017 3/20 0.42
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ SIRT2 Q8IXJ6 3/20 0.41
▸ SIRT1 Q96EB6 2/20 0.41
▸ KDR P35968 1/20 0.41
▸ SIRT3 Q9NTG7 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11949013 0.93 HPSE (0.47) HPSEEGFRACHECHEK2MMP2
SCHEMBL3110175 0.92 KDM4E (0.41) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11948990 0.88 ACHE (0.48) HPSEEGFRACHECHEK2MMP2
SCHEMBL11949011 0.85 HPSE (0.54) HPSEEGFRACHECHEK2MMP2
SCHEMBL11949047 0.84 TUBB4A (0.46) HPSECHEK2SIRT2SIRT1SIRT3
SCHEMBL3109194 0.84 TUBB4A (0.47) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11949003 0.83 HDAC6 (0.47) HPSEMMP2MMP9MMP8MMP13
SCHEMBL11949001 0.83 MMP2 (0.52) HPSEEGFRACHECHEK2MMP2
SCHEMBL11949027 0.81 NR4A2 (0.46) HPSECHEK2SIRT2SIRT1SIRT3
SCHEMBL3103864 0.81 TUBB4A (0.45) CHEK2MMP2MMP9MMP8MMP13

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

“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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