SCHEMBL11949032

SCHEMBL11949032

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.49
▸ CHEK2 O96017 7/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ PRSS12 P56730 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ STAT1 P42224 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ SAE1 Q9UBE0 1/20 0.44

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 0.87 KDR (0.51) KDRCHEK2SLC2A1PRSS12MEN1
SCHEMBL11949019 0.86 SLC2A1 (0.52) KDRCHEK2SLC2A1PRSS12MEN1
SCHEMBL11949028 0.86 KDR (0.49) KDRCHEK2SLC2A1PRSS12NPC1
SCHEMBL11949020 0.84 PRSS12 (0.61) KDRCHEK2SLC2A1PRSS12MAPT
SCHEMBL11949022 0.82 PRSS12 (0.58) CHEK2PRSS12NPC1SMN1; SMN2MAPT
SCHEMBL11949025 0.82 CHEK2 (0.48) KDRCHEK2SLC2A1PRSS12MEN1
SCHEMBL11949033 0.81 PRSS12 (0.57) CHEK2SLC2A1PRSS12MAPTHDAC6
SCHEMBL11949023 0.80 PRSS12 (0.61) KDRCHEK2PRSS12MEN1KMT2A
SCHEMBL11956441 0.80 PRSS12 (0.56) KDRCHEK2SLC2A1PRSS12MAPT
SCHEMBL11949041 0.80 PRSS12 (0.56) CHEK2PRSS12NPC1LMNASMN1; SMN2

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 4884/4885CHEK2 3766/4885SLC2A1 4389/4885

“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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