SCHEMBL11949028

SCHEMBL11949028

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CHEK2 O96017 4/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ PRSS12 P56730 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
SCHEMBL11949021 0.94 KDR (0.51) KDRSMN1; SMN2NPC1CHEK2SLC2A1
SCHEMBL11948994 0.89 EGFR (0.52) KDRHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL11949036 0.88 NR4A2 (0.47) CHEK2
SCHEMBL11949004 0.88 MMP2 (0.48) HPGDKDM4EALDH1A1
SCHEMBL11949019 0.87 SLC2A1 (0.52) KDRHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL11949032 0.86 KDR (0.49) KDRHPGDSMN1; SMN2NPC1ALDH1A1
SCHEMBL11949020 0.85 PRSS12 (0.61) KDRCHEK2SLC2A1PRSS12
SCHEMBL11949049 0.83 HDAC6 (0.45) HPGDKDM4EALDH1A1
SCHEMBL11949014 0.83 EGFR (0.53) KDRHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL11949025 0.83 CHEK2 (0.48) KDRSMN1; SMN2NPC1CHEK2SLC2A1

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 KDR 4884/4885HPGD 2508/4885SMN1; SMN2 2448/4885

“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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