SCHEMBL11949014

SCHEMBL11949014

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.53
▸ MMP2 P08253 3/20 0.51
▸ MMP9 P14780 3/20 0.51
▸ MMP8 P22894 3/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ HPSE Q9Y251 2/20 0.50
▸ KDR P35968 1/20 0.48
▸ CHEK2 O96017 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MMP3 P08254 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
SCHEMBL11948994 0.94 EGFR (0.52) EGFRMMP2MMP9MMP8MMP13
SCHEMBL11949031 0.91 NR4A2 (0.48) EGFRMMP2MMP9MMP8MMP13
SCHEMBL3096830 0.90 MMP2 (0.49) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949021 0.89 KDR (0.51) KDRCHEK2ADORA3NPC1MAPT
SCHEMBL11948988 0.86 MMP2 (0.56) EGFRMMP2MMP9MMP8MMP13
SCHEMBL11949011 0.86 HPSE (0.54) EGFRMMP2MMP9MMP8MMP13
SCHEMBL11949036 0.85 NR4A2 (0.47) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949004 0.84 MMP2 (0.48) MMP2MMP9MMP8MMP13ADORA3
SCHEMBL11949012 0.83 MMP2 (0.64) EGFRMMP2MMP9MMP8MMP13
SCHEMBL11949028 0.83 KDR (0.49) KDRCHEK2KDM4ENPC1HPGD

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 EGFR 4747/4885MMP2 4155/4885MMP9 4514/4885

“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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