SCHEMBL3045463

SCHEMBL3045463

O=C(Br)C(Br)C(Br)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TP53 P04637 1/20 0.54
NPSR1 Q6W5P4 3/20 0.52
GAA P10253 2/20 0.52
XBP1 P17861 1/20 0.52
LMNA P02545 2/20 0.52
PKM P14618 2/20 0.52
HSP90AA1 P07900 1/20 0.52
KDM4E B2RXH2 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL6012006 0.84 SMN1; SMN2 (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28733093 0.84 MAPT (0.60) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL3034787 0.82 SMN1; SMN2 (0.60) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL28878841 0.80 MAPT (0.64) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5561958 0.79 SMN1; SMN2 (0.63) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL31093984 0.79 SMN1; SMN2 (0.63) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL9338885 0.79 MAPT (0.62) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL10726426 0.79 SMN1; SMN2 (0.67) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8789243 0.78 ALDH1A1 (0.55) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL963688 0.78 SMN1; SMN2 (0.62) MAPTMEN1KMT2AHTTRAB9A

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-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI MAPT 2393/4885MEN1 1947/4885KMT2A 2653/4885

“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.