SCHEMBL11949036

SCHEMBL11949036

CCCCC(=O)Nc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1N(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.47
▸ CHEK2 O96017 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 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
SCHEMBL11949031 0.94 NR4A2 (0.48) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL11948994 0.91 EGFR (0.52) CHEK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL11949004 0.90 MMP2 (0.48) MMP2MMP9MMP8MMP13
SCHEMBL11949028 0.88 KDR (0.49) CHEK2
SCHEMBL11949034 0.86 NR4A2 (0.51) NR4A2CHEK2
SCHEMBL11949014 0.85 EGFR (0.53) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11949039 0.85 NR4A2 (0.55) NR4A2CHEK2HDAC3HDAC1HDAC8
SCHEMBL3096830 0.83 MMP2 (0.49) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL11949027 0.83 NR4A2 (0.46) NR4A2CHEK2HDAC6
SCHEMBL11949037 0.82 MMP2 (0.55) NR4A2CHEK2HDAC3HDAC1HDAC8

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 NR4A2 4742/4885CHEK2 3766/4885HDAC3 170/4885

“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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